Geometry & MOs

Info

ID:

179494

PubChem CID:

76490587

Reduced:

O3N6C38H52 (1)

Stoich.:

A3B6C38D52 (1)

Weight, g/mol:

601.053311

ΔHf, kcal/mol:

-72.74

Dipole, Da:

5.92

IP(EA), eV:

 -8.15(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-(2-amino-1,3-thiazol-4-yl)-2-[2-[(4-nitrophenyl)methoxy]-2-oxoethoxy]iminoacetyl]amino]-2-(carbamoyloxymethyl)-4-oxoazetidine-1-sulfonic acid

Drug info:

PubChemData

Smile

CC1CC2C3CCC4=CC(=O)C=CC4(C3=CCC2(C1C(=O)CN5CCN(CC5)C6=NC(=NC(=C6O)N7CCCC7)N8CCCC8)C)C

DOS

IR

Vibrations