Geometry & MOs

Info

ID:

214459

PubChem CID:

85083074

Reduced:

O7C31H52 (1)

Stoich.:

A7B31C52 (1)

Weight, g/mol:

537.126079

ΔHf, kcal/mol:

-421.1

Dipole, Da:

3.92

IP(EA), eV:

 -10.13(0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-4-[4-[N-hydroxy-C-[[1-[(1-oxidopyridin-1-ium-4-yl)-phosphonomethyl]-2-oxoazetidin-3-yl]carbamoyl]carbonimidoyl]phenoxy]butanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(=O)OC1CC2C(CCC3C2(CCC(C3)O)C)C4C1(C(CC4)CCC(CC(CC(=O)O)O)O)C

DOS

IR

Vibrations