Geometry & MOs

Info

ID:	123318
PubChem CID:	50842201
Reduced:	S2O3N4C23H28 (1)
Stoich.:	A2B3C4D23E28 (1)
Weight, g/mol:	438.175933
ΔH_f, kcal/mol:	-73.44
Dipole, Da:	11.57
IP(EA), eV:	-8.21(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylbutyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CN(C(=C2)C3=NC(=CS3)C)CC(=O)N4CCCCC4)C

DOS

IR

Vibrations