Geometry & MOs

Info

ID:	139399
PubChem CID:	52522628
Reduced:	NO5H19C23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	431.097349
ΔH_f, kcal/mol:	-39.81
Dipole, Da:	8.3
IP(EA), eV:	-8.9(-2.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[C@@H]2C(=C(C(=O)N2C3=CC=C(C=C3)C(=O)[O-])[O-])C(=O)C4CC4)C

DOS

IR

Vibrations