Geometry & MOs

Info

ID:	204374
PubChem CID:	79955949
Reduced:	NSO2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	266.064447
ΔH_f, kcal/mol:	-79.01
Dipole, Da:	1.68
IP(EA), eV:	-8.07(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[(2-methylthian-3-yl)amino]benzonitrile

Drug info:

PubChemData

Smile

CC1(CC(CSC1)NC2=CC3=C(C=C2)OCCCO3)C

DOS

IR

Vibrations