Geometry & MOs

Info

ID:	179131
PubChem CID:	76440295
Reduced:	OSN6C12H16 (1)
Stoich.:	ABC6D12E16 (1)
Weight, g/mol:	461.090912
ΔH_f, kcal/mol:	60.86
Dipole, Da:	6.8
IP(EA), eV:	-9.53(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dichloro-N-[1,4-dioxo-3-(phenylmethoxymethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]benzamide

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SCCNC(=O)C(C2=CC=CC=C2)N

DOS

IR

Vibrations