Geometry & MOs

Info

ID:	38752
PubChem CID:	8137869
Reduced:	SO2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	366.140199
ΔH_f, kcal/mol:	-48.07
Dipole, Da:	3.66
IP(EA), eV:	-9.02(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dimethylphenyl)-2-[[(2S)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CCNC(=O)[C@H](C)SC1=NC2=CC=CC=C2C(=O)N1C3=C(C=C(C=C3)C)C

DOS

IR

Vibrations