Geometry & MOs

Info

ID:	33426
PubChem CID:	7886398
Reduced:	N2S2O3C20H20 (1)
Stoich.:	A2B2C3D20E20 (1)
Weight, g/mol:	369.096085
ΔH_f, kcal/mol:	-54.08
Dipole, Da:	5.57
IP(EA), eV:	-8.44(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-6-nitroquinazolin-4-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)CSC2=NC=NC3=C2C4=C(S3)CCCC4)OC

DOS

IR

Vibrations