Geometry & MOs

Info

ID:	54910
PubChem CID:	17389525
Reduced:	NO2S2C20H24 (1)
Stoich.:	AB2C2D20E24 (1)
Weight, g/mol:	345.085721
ΔH_f, kcal/mol:	13.37
Dipole, Da:	3.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.896889
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-benzothiophen-3-yl)propan-2-yl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C.CC(CC1=CSC2=CC=CC=C21)N(C)S(=O)[O-]

DOS

IR

Vibrations