Geometry & MOs

Info

ID:	443868
PubChem CID:	135260232
Reduced:	FNO2H9C12 (2)
Stoich.:	ABC2D9E12 (2)
Weight, g/mol:	494.126944
ΔH_f, kcal/mol:	-183.12
Dipole, Da:	6.14
IP(EA), eV:	-8.73(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-chloro-4-fluoro-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)C2=C(C=CC(=C2)CN3C4=C(C(=CC=C4)F)C(=O)NC3=O)F

DOS

IR

Vibrations