Geometry & MOs

Info

ID:	31991
PubChem CID:	3727071
Reduced:	SN3O4H15C20 (1)
Stoich.:	AB3C4D15E20 (1)
Weight, g/mol:	428.133199
ΔH_f, kcal/mol:	-19.02
Dipole, Da:	3.07
IP(EA), eV:	-8.78(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-6,7-dimethoxy-2-methylquinazolin-4-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=NN3C(=O)C(=CC4=CC=C(C=C4)C(=O)OC)SC3=N2

DOS

IR

Vibrations