Geometry & MOs

Info

ID:

177158

PubChem CID:

76142411

Reduced:

O4N5C31H39 (1)

Stoich.:

A4B5C31D39 (1)

Weight, g/mol:

553.05081

ΔHf, kcal/mol:

-129.05

Dipole, Da:

2.3

IP(EA), eV:

 -8.56(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-amino-4-oxo-1-(2H-tetrazol-5-ylsulfanyl)butyl]-7-[[2-(2-carboxythiophen-3-yl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CNCCC1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC(CC4=CC=CC=C4)C(=O)N5CCOCC5

DOS

IR

Vibrations