Geometry & MOs

Info

ID:	368759
PubChem CID:	127330055
Reduced:	NSO4C18H23 (1)
Stoich.:	ABC4D18E23 (1)
Weight, g/mol:	393.135842
ΔH_f, kcal/mol:	-139.04
Dipole, Da:	3.63
IP(EA), eV:	-9.12(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2-(oxolan-3-ylmethoxy)acetyl]piperazin-1-yl]sulfonylbenzonitrile

Drug info:

PubChemData

Smile

C1CC1N(C2CCS(=O)(=O)C2)C(=O)CC3CCOC4=CC=CC=C34

DOS

IR

Vibrations