Geometry & MOs

Info

ID:	269950
PubChem CID:	103621150
Reduced:	SO2N4C11H18 (1)
Stoich.:	AB2C4D11E18 (1)
Weight, g/mol:	266.00548
ΔH_f, kcal/mol:	-52.28
Dipole, Da:	4.95
IP(EA), eV:	-8.56(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-propan-2-yl-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=C(N(C(=C1C#N)N)CCCNS(=O)(=O)C)C

DOS

IR

Vibrations