Geometry & MOs

Info

ID:

214988

PubChem CID:

85083963

Reduced:

Cl2O4N7C33H33 (1)

Stoich.:

A2B4C7D33E33 (1)

Weight, g/mol:

662.260447

ΔHf, kcal/mol:

-52.11

Dipole, Da:

5.08

IP(EA), eV:

 -8.53(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 2-[2-[2-[2-(acetyloxymethyl)-1,3-dioxolan-2-yl]ethyl]-3-[(2-hydroxy-1-phenylethyl)amino]-4-oxoazetidin-1-yl]-2-diethoxyphosphorylacetate

Drug info:

PubChemData

Smile

CC1(OC2C(O1)C(OC2C(=O)NC3CC3)N4C=NC5=C(N=CN=C54)NCCC6=CN(C7=CC=CC=C76)CC8=CC(=C(C=C8)Cl)Cl)C

DOS

IR

Vibrations