Geometry & MOs

Info

ID:	198785
PubChem CID:	79149869
Reduced:	ClNOSC12H12 (1)
Stoich.:	ABCDE12F12 (1)
Weight, g/mol:	275.028396
ΔH_f, kcal/mol:	-6.89
Dipole, Da:	1.7
IP(EA), eV:	-8.41(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-amino-3-chlorophenyl)sulfanylmethyl]pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CSC2=CC(=C(C=C2)N)Cl

DOS

IR

Vibrations