Geometry & MOs

Info

ID:	13856
PubChem CID:	399389
Reduced:	SO2N4H12C17 (1)
Stoich.:	AB2C4D12E17 (1)
Weight, g/mol:	336.068097
ΔH_f, kcal/mol:	67.96
Dipole, Da:	9.58
IP(EA), eV:	-8.65(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-3-[(2-oxoindol-3-yl)amino]quinazolin-4-one

Drug info:

PubChemData

Smile

CSC1=NC2=CC=CC=C2C(=O)N1NC3=C4C=CC=CC4=NC3=O

DOS

IR

Vibrations