Geometry & MOs

Info

ID:	153782
PubChem CID:	56313093
Reduced:	S2O3N4C24H28 (1)
Stoich.:	A2B3C4D24E28 (1)
Weight, g/mol:	484.160283
ΔH_f, kcal/mol:	-56.27
Dipole, Da:	8.61
IP(EA), eV:	-8.29(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=C(C=CS3)S(=O)(=O)NC4=CC=C(C=C4)C

DOS

IR

Vibrations