Geometry & MOs

Info

ID:

189545

PubChem CID:

77870631

Reduced:

N2O6C27H32 (1)

Stoich.:

A2B6C27D32 (1)

Weight, g/mol:

712.071037

ΔHf, kcal/mol:

-190.25

Dipole, Da:

6.54

IP(EA), eV:

 -8.04(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(5-butyltetrazol-1-yl)sulfanylmethyl]-7-[[2-(2-hydroxycyclohexa-1,4-dien-1-yl)-3-oxo-3-(2,2,2-trichloroethoxy)propanoyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CC)C(C)CN1C=C(C2=C(C1=O)C=C(C=C2)OC)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations