Geometry & MOs

Info

ID:	38757
PubChem CID:	8137878
Reduced:	SN2O2C21H22 (1)
Stoich.:	AB2C2D21E22 (1)
Weight, g/mol:	366.140199
ΔH_f, kcal/mol:	-34.87
Dipole, Da:	2.96
IP(EA), eV:	-9.11(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SC[C@@H]4CCCO4)C

DOS

IR

Vibrations