Geometry & MOs

Info

ID:	62687
PubChem CID:	26736202
Reduced:	NO3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	447.125277
ΔH_f, kcal/mol:	-43.63
Dipole, Da:	1.92
IP(EA), eV:	-9.0(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyanophenyl) 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCC(=O)OC2=CC=CC=C2C#N

DOS

IR

Vibrations