Geometry & MOs

Info

ID:	402629
PubChem CID:	135056639
Reduced:	PSC5O7H11 (1)
Stoich.:	ABC5D7E11 (1)
Weight, g/mol:	359.94295
ΔH_f, kcal/mol:	-375.32
Dipole, Da:	3.18
IP(EA), eV:	-10.1(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(3-iodo-6-oxocyclohexa-2,4-dien-1-ylidene)-N-methyl-3H-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C(C(C(C(=O)CSP(=O)(O)O)O)O)O

DOS

IR

Vibrations