Geometry & MOs

Info

ID:	193512
PubChem CID:	78402645
Reduced:	OF2N4H10C18 (1)
Stoich.:	AB2C4D10E18 (1)
Weight, g/mol:	542.998
ΔH_f, kcal/mol:	32.28
Dipole, Da:	5.12
IP(EA), eV:	-9.97(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-[(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-3-(2-methylphenyl)-4a,5,6,7,8,8a-hexahydroquinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C2=NC3C(=NC=NC3=O)N=C2C4=CC(=CC=C4)F

DOS

IR

Vibrations