Geometry & MOs

Info

ID:	348983
PubChem CID:	127274709
Reduced:	N2S2O4C15H28 (1)
Stoich.:	A2B2C4D15E28 (1)
Weight, g/mol:	360.161997
ΔH_f, kcal/mol:	-205.46
Dipole, Da:	7.28
IP(EA), eV:	-9.07(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(oxan-2-ylmethylsulfanyl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCC(CC1)NC(=O)CSCC2CCCCO2

DOS

IR

Vibrations