Geometry & MOs

Info

ID:	219366
PubChem CID:	85147891
Reduced:	ClON3H26C27 (1)
Stoich.:	ABC3D26E27 (1)
Weight, g/mol:	476.176979
ΔH_f, kcal/mol:	47.19
Dipole, Da:	4.26
IP(EA), eV:	-8.94(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-phenylcyclohexyl) 2-[(4-methylphenyl)sulfonylhydrazinylidene]-2-phenylacetate

Drug info:

PubChemData

Smile

C1CN(CCC12CN(C3=CC=CC=C23)C(=O)C4=CC(=NC=C4)Cl)CC=CC5=CC=CC=C5

DOS

IR

Vibrations