Geometry & MOs

Info

ID:	179094
PubChem CID:	76432844
Reduced:	SN3O4C30H35 (1)
Stoich.:	AB3C4D30E35 (1)
Weight, g/mol:	402.206719
ΔH_f, kcal/mol:	-102.34
Dipole, Da:	4.85
IP(EA), eV:	-8.29(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(cyclohexylmethyl)-N-(3-fluorophenyl)-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2CC(CC(C2)C(=O)NC3=CC4=C(CCC4)C=C3)C(=O)NCC5=CC=CS5)OC

DOS

IR

Vibrations