Geometry & MOs

Info

ID:	233427
PubChem CID:	90271504
Reduced:	NSO2F3C10H10 (1)
Stoich.:	ABC2D3E10F10 (1)
Weight, g/mol:	414.169191
ΔH_f, kcal/mol:	-227.08
Dipole, Da:	7.24
IP(EA), eV:	-9.29(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidin-6-yl)methyl]phenyl]benzonitrile

Drug info:

PubChemData

Smile

CCSC1=CC(=C(N=C1)C(=O)O)CC(F)(F)F

DOS

IR

Vibrations