Geometry & MOs

Info

ID:	218288
PubChem CID:	85089131
Reduced:	NSO10C18H23 (1)
Stoich.:	ABC10D18E23 (1)
Weight, g/mol:	447.170668
ΔH_f, kcal/mol:	-333.22
Dipole, Da:	1.22
IP(EA), eV:	-10.48(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(4-cyanophenyl)methyl]-N-[(4-fluorophenyl)methyl]-9-methyl-6,8-dioxo-1,2,9,9a-tetrahydropyrazino[1,2-c]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)OC)OC(=O)CC(C(=O)C)OS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations