Geometry & MOs

Info

ID:	379415
PubChem CID:	134419367
Reduced:	N2O7C19H32 (1)
Stoich.:	A2B7C19D32 (1)
Weight, g/mol:	547.257003
ΔH_f, kcal/mol:	-311.61
Dipole, Da:	6.81
IP(EA), eV:	-9.8(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,3R,4R,5R,6R,7S,8R,11S,16R,17S,18E)-6-hydroxy-13-methoxy-5,17,19-trimethyl-14-oxo-16-phenyl-2,15-dioxatetracyclo[9.8.0.01,7.03,8]nonadeca-9,18-dien-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

C[C@@H](CCOCCNC(=O)C(=O)O[C@H](C)C(C)(C)C)OC(=O)C(=O)NC1CC1

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

C[C@@H](CCOCCNC(=O)C(=O)O[C@H](C)C(C)(C)C)OC(=O)C(=O)NC1CC1

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):