Geometry & MOs

Info

ID:	122527
PubChem CID:	50810552
Reduced:	N2S2O3C19H20 (1)
Stoich.:	A2B2C3D19E20 (1)
Weight, g/mol:	464.122835
ΔH_f, kcal/mol:	-70.97
Dipole, Da:	5.84
IP(EA), eV:	-8.78(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[benzyl(methylsulfonyl)amino]-N-(3,5-dimethylphenyl)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1=CC2=C(C=C1)SC(=C2)C(=O)NC)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations