Geometry & MOs

Info

ID:	139400
PubChem CID:	52522656
Reduced:	S2N3O4C20H21 (1)
Stoich.:	A2B3C4D20E21 (1)
Weight, g/mol:	431.097349
ΔH_f, kcal/mol:	-74.15
Dipole, Da:	10.35
IP(EA), eV:	-8.41(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C2=CSC(=C3C=CC(=O)C=C3)N2

DOS

IR

Vibrations