Geometry & MOs

Info

ID:	33477
PubChem CID:	7886669
Reduced:	S2N3H13C17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	362.00662
ΔH_f, kcal/mol:	109.17
Dipole, Da:	4.09
IP(EA), eV:	-8.78(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-[(3-fluoro-4-methoxyphenyl)methyl]quinazolin-4-one

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=C2C(=NC=N3)SCC4=CC(=CC=C4)C#N

DOS

IR

Vibrations