Geometry & MOs

Info

ID:

178971

PubChem CID:

76411508

Reduced:

S3N7O9H31C32 (1)

Stoich.:

A3B7C9D31E32 (1)

Weight, g/mol:

467.093326

ΔHf, kcal/mol:

-209.28

Dipole, Da:

10.04

IP(EA), eV:

 -9.35(-2.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(5-methyloxolan-2-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2CCC(C(=O)N2)C(=O)NC(C3=CC=C(C=C3)O)C(=O)NC4C5N(C4=O)C(=C(CS5)CSC6=NN=C(S6)C(=O)NO)C(=O)O

DOS

IR

Vibrations