Geometry & MOs

Info

ID:	198776
PubChem CID:	79149289
Reduced:	ClOSN3C10H10 (1)
Stoich.:	ABCD3E10F10 (1)
Weight, g/mol:	338.970997
ΔH_f, kcal/mol:	33.99
Dipole, Da:	0.65
IP(EA), eV:	-8.22(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[(3-chloro-1-benzothiophen-2-yl)methylsulfanyl]aniline

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CSC2=CC(=C(C=C2)N)Cl

DOS

IR

Vibrations