Geometry & MOs

Info

ID:	56103
PubChem CID:	17404409
Reduced:	O2S3N4C16H20 (1)
Stoich.:	A2B3C4D16E20 (1)
Weight, g/mol:	323.109233
ΔH_f, kcal/mol:	-18.34
Dipole, Da:	7.01
IP(EA), eV:	-8.79(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylprop-2-enylsulfanyl)-3-(6-methylpyridin-2-yl)quinazolin-4-one

Drug info:

PubChemData

Smile

CCCNC(=O)CSC1=NN=C(S1)SCC(=O)NC2=CC=C(C=C2)C

DOS

IR

Vibrations