Geometry & MOs

Info

ID:	442031
PubChem CID:	135248167
Reduced:	SN4C22H26 (1)
Stoich.:	AB4C22D26 (1)
Weight, g/mol:	482.96124
ΔH_f, kcal/mol:	100.88
Dipole, Da:	3.74
IP(EA), eV:	-8.37(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzothiophen-5-yl)-N-(3-iodophenyl)-1-benzothiophen-5-amine

Drug info:

PubChemData

Smile

CCC1=CSC2=C1NC=NCCCCCN(C2=C)CC3=CC=CC=C3C#N

DOS

IR

Vibrations