Geometry & MOs

Info

ID:	174483
PubChem CID:	75770948
Reduced:	O3N5C16H17 (1)
Stoich.:	A3B5C16D17 (1)
Weight, g/mol:	393.068033
ΔH_f, kcal/mol:	-81.47
Dipole, Da:	5.18
IP(EA), eV:	-9.16(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-fluoro-N-[4-(4-oxo-4aH-quinazolin-2-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(N=C1C)N=C(C=C2)NC(=O)C3CC(=O)NC(=O)N3)C

DOS

IR

Vibrations