Geometry & MOs

Info

ID:	348964
PubChem CID:	127274690
Reduced:	SN2O4C15H26 (1)
Stoich.:	AB2C4D15E26 (1)
Weight, g/mol:	397.239913
ΔH_f, kcal/mol:	-184.27
Dipole, Da:	4.71
IP(EA), eV:	-8.58(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-[4-[2-(oxan-2-ylmethylsulfanyl)acetyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCOCC1)C(=O)CSCC2CCCCO2

DOS

IR

Vibrations