Geometry & MOs

Info

ID:	158191
PubChem CID:	56463134
Reduced:	SN2O7C18H26 (1)
Stoich.:	AB2C7D18E26 (1)
Weight, g/mol:	442.069085
ΔH_f, kcal/mol:	-274.66
Dipole, Da:	4.92
IP(EA), eV:	-8.27(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1CC(=O)N(C1)C2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations