Geometry & MOs

Info

ID:	2070
PubChem CID:	5724
Reduced:	BrClFN2O4H11C17 (1)
Stoich.:	ABCD2E4F11G17 (1)
Weight, g/mol:	439.95748
ΔH_f, kcal/mol:	-171.78
Dipole, Da:	4.73
IP(EA), eV:	-9.98(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxoquinazolin-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)N(C(=O)N(C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)O

DOS

IR

Vibrations