Geometry & MOs

Info

ID:	401009
PubChem CID:	135049777
Reduced:	SO3C10H10 (1)
Stoich.:	AB3C10D10 (1)
Weight, g/mol:	303.021769
ΔH_f, kcal/mol:	-88.13
Dipole, Da:	3.44
IP(EA), eV:	-9.23(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzoyl-3-chloro-3-(4-chlorophenyl)propanenitrile

Drug info:

PubChemData

Smile

COC(=O)C(C=O)SC1=CC=CC=C1

DOS

IR

Vibrations