Geometry & MOs

Info

ID:	32219
PubChem CID:	6435958
Reduced:	BrOCl2N3H18C30 (1)
Stoich.:	ABC2D3E18F30 (1)
Weight, g/mol:	544.06075
ΔH_f, kcal/mol:	89.73
Dipole, Da:	6.69
IP(EA), eV:	-8.76(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]-2-ethyl-6-iodoquinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)Cl)/C=C/C4=NC5=C(C=C(C=C5)Br)C(=O)N4C6=CC=C(C=C6)Cl

DOS

IR

Vibrations