Geometry & MOs

Info

ID:	67611
PubChem CID:	46506810
Reduced:	BrO2N3H16C22 (1)
Stoich.:	AB2C3D16E22 (1)
Weight, g/mol:	499.05019
ΔH_f, kcal/mol:	11.11
Dipole, Da:	4.58
IP(EA), eV:	-9.05(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-chloro-2-[[2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=O)N(C3=CC=CC=C32)CC(=O)NC4=CC=CC=C4Br

DOS

IR

Vibrations