Geometry & MOs

Info

ID:

176846

PubChem CID:

76104785

Reduced:

N3O3C31H33 (1)

Stoich.:

A3B3C31D33 (1)

Weight, g/mol:

538.992249

ΔHf, kcal/mol:

-55.02

Dipole, Da:

3.85

IP(EA), eV:

 -8.4(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(cyanomethoxyimino)acetyl]amino]-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)N2CCN(CC2CC3=CNC4=CC=CC=C43)CC(=O)OCC5=CC=CC=C5)C

DOS

IR

Vibrations