Geometry & MOs

Info

ID:	67612
PubChem CID:	46506815
Reduced:	FCl2N3O4H16C24 (1)
Stoich.:	AB2C3D4E16F24 (1)
Weight, g/mol:	439.146283
ΔH_f, kcal/mol:	-129.81
Dipole, Da:	6.3
IP(EA), eV:	-9.44(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1)Cl)NC(=O)CN2C3=C(C=C(C=C3)Cl)C(=NC2=O)C4=CC=CC=C4F

DOS

IR

Vibrations