Geometry & MOs

Info

ID:	327956
PubChem CID:	126691503
Reduced:	NO4C11H21 (1)
Stoich.:	AB4C11D21 (1)
Weight, g/mol:	595.285778
ΔH_f, kcal/mol:	-218.69
Dipole, Da:	4.34
IP(EA), eV:	-10.05(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,2S)-2-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[(3E,5E)-4,6-difluorohepta-1,3,5-trien-2-yl]-2-hydroxy-4-methyl-1,3-oxazolidin-3-yl]methyl]pyridin-3-yl]-4-methoxyphenyl]cyclopropane-1-carboxylate

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

CC[C@H](C)N(CC(=O)O)C(=O)OC(C)(C)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

CC[C@H](C)N(CC(=O)O)C(=O)OC(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):