Geometry & MOs

Info

ID:	122085
PubChem CID:	50793147
Reduced:	SN3O5H19C22 (1)
Stoich.:	AB3C5D19E22 (1)
Weight, g/mol:	516.200885
ΔH_f, kcal/mol:	-98.68
Dipole, Da:	4.32
IP(EA), eV:	-8.56(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[6,7-dimethoxy-1-[2-(4-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C(=C2)NS(=O)(=O)C3=CC=CC=C3)OC4=CC=CC=C4)N(C(=O)C1=O)C

DOS

IR

Vibrations