Geometry & MOs

Info

ID:	154097
PubChem CID:	56313485
Reduced:	ClN2S2O4H21C22 (1)
Stoich.:	AB2C2D4E21F22 (1)
Weight, g/mol:	461.090155
ΔH_f, kcal/mol:	-94.29
Dipole, Da:	4.84
IP(EA), eV:	-8.55(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)N3CCOC(C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations