Geometry & MOs

Info

ID:	31370
PubChem CID:	855630
Reduced:	SO2N5C16H17 (1)
Stoich.:	AB2C5D16E17 (1)
Weight, g/mol:	340.088164
ΔH_f, kcal/mol:	40.13
Dipole, Da:	7.28
IP(EA), eV:	-8.98(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=NOC(=C2)C)C3=CC=CC=C3

DOS

IR

Vibrations