Geometry & MOs

Info

ID:	287942
PubChem CID:	104301447
Reduced:	ClSO2N3H12C13 (1)
Stoich.:	ABC2D3E12F13 (1)
Weight, g/mol:	218.02469
ΔH_f, kcal/mol:	2.58
Dipole, Da:	4.34
IP(EA), eV:	-9.22(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-3-methylbenzoyl)propanedinitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=NC(=CS2)/C(=N\O)/C)Cl

DOS

IR

Vibrations