Geometry & MOs

Info

ID:

32235

PubChem CID:

6436053

Reduced:

ClSN2O4C25H25 (1)

Stoich.:

ABC2D4E25F25 (1)

Weight, g/mol:

453.077676

ΔHf, kcal/mol:

-104.83

Dipole, Da:

2.01

IP(EA), eV:

 -9.12(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)/C(=C/CCCC(=O)O)/C2=CC=C(C=C2)CCNS(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations