Geometry & MOs

Info

ID:	25501
PubChem CID:	625881
Reduced:	ClSO3N4C14H15 (1)
Stoich.:	ABC3D4E14F15 (1)
Weight, g/mol:	290.001368
ΔH_f, kcal/mol:	-83.45
Dipole, Da:	8.73
IP(EA), eV:	-9.18(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)Cl

DOS

IR

Vibrations