Geometry & MOs

Info

ID:	371642
PubChem CID:	131269498
Reduced:	FSO3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	196.040341
ΔH_f, kcal/mol:	-134.04
Dipole, Da:	5.02
IP(EA), eV:	-9.24(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-6-chloro-2-methoxyphenyl)acetonitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1CO)C(=C(S2)C(=O)O)F

DOS

IR

Vibrations