Geometry & MOs

Info

ID:	122524
PubChem CID:	50810283
Reduced:	SO3N4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	434.097014
ΔH_f, kcal/mol:	-9.42
Dipole, Da:	4.36
IP(EA), eV:	-8.83(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethoxyphenyl)-5-[ethylsulfonyl(methyl)amino]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)SCC3=NOC(=N3)CCC(=O)NC4=CC(=CC(=C4)C)C

DOS

IR

Vibrations