Geometry & MOs

Info

ID:	33456
PubChem CID:	7886592
Reduced:	S2O3N4H16C18 (1)
Stoich.:	A2B3C4D16E18 (1)
Weight, g/mol:	370.03169
ΔH_f, kcal/mol:	24.87
Dipole, Da:	9.5
IP(EA), eV:	-9.29(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-[2-(4-ethylphenyl)-2-oxoethyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC=NC3=C2C4=C(S3)CCC4

DOS

IR

Vibrations