Geometry & MOs

Info

ID:	379401
PubChem CID:	134419342
Reduced:	N4O5C28H54 (1)
Stoich.:	A4B5C28D54 (1)
Weight, g/mol:	631.310495
ΔH_f, kcal/mol:	-294.24
Dipole, Da:	3.01
IP(EA), eV:	-8.37(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,3R,4R,5R,8R)-8-[(Z)-2-[(2S,3R,4E)-2-[(1R)-1-[(2-amino-2-oxoethyl)carbamoyloxy]ethyl]-9-methoxy-3,5-dimethyl-10-oxo-2,3,6,7,8,9-hexahydrooxecin-7-yl]ethenyl]-2-hydroxy-3-methyl-6-oxabicyclo[3.2.1]octan-4-yl] 1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCCC(C)(CC1CN(CCO1)C(=O)O[C@H](C)C(C)(C)C)[C@@H](C)OC(=O)NCCCN2CCN(CC2)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCCC(C)(CC1CN(CCO1)C(=O)O[C@H](C)C(C)(C)C)[C@@H](C)OC(=O)NCCCN2CCN(CC2)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):