Geometry & MOs

Info

ID:	122529
PubChem CID:	50810620
Reduced:	O2S3N5H13C16 (1)
Stoich.:	A2B3C5D13E16 (1)
Weight, g/mol:	464.122835
ΔH_f, kcal/mol:	71.45
Dipole, Da:	2.65
IP(EA), eV:	-8.87(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-5-[methyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)SCC3=NOC(=N3)CCC(=O)NC4=NC=CS4

DOS

IR

Vibrations