Geometry & MOs

Info

ID:	346818
PubChem CID:	127271322
Reduced:	FO3N5C18H20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	357.172228
ΔH_f, kcal/mol:	-101.09
Dipole, Da:	2.55
IP(EA), eV:	-8.86(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-oxoethyl]azepan-2-one

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC=N2)C(=O)NCC3=CC(=CC4=C3OCOC4)F

DOS

IR

Vibrations