Geometry & MOs

Info

ID:	122519
PubChem CID:	50810186
Reduced:	BrO2N5C11H12 (1)
Stoich.:	AB2C5D11E12 (1)
Weight, g/mol:	482.079256
ΔH_f, kcal/mol:	15.7
Dipole, Da:	3.8
IP(EA), eV:	-10.13(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[benzyl(methylsulfonyl)amino]-N-(2-methylsulfanylphenyl)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

COCCNC(=O)C1=C(C=CC(=N1)N2C=NN=C2)Br

DOS

IR

Vibrations