Geometry & MOs

Info

ID:	179061
PubChem CID:	76427938
Reduced:	FSN2O7H23C25 (1)
Stoich.:	ABC2D7E23F25 (1)
Weight, g/mol:	452.184841
ΔH_f, kcal/mol:	-240.74
Dipole, Da:	2.5
IP(EA), eV:	-8.74(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(1H-indol-3-ylmethyl)-2-(naphthalene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

Drug info:

PubChemData

Smile

CCOC(=O)CN1C(=C2C3=C(C=CC(=C3)F)NC2=O)SC(=CC4=CC(=C(C(=C4)OC)OC)OC)C1=O

DOS

IR

Vibrations