Geometry & MOs

Info

ID:	158592
PubChem CID:	56464257
Reduced:	OSN3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	433.149384
ΔH_f, kcal/mol:	-0.86
Dipole, Da:	5.01
IP(EA), eV:	-8.03(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(methyl)amino]propyl]-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)NC2=C3C=CN(C3=CC=C2)C

DOS

IR

Vibrations