Geometry & MOs

Info

ID:	39252
PubChem CID:	8139983
Reduced:	O2S2N3C18H25 (1)
Stoich.:	A2B2C3D18E25 (1)
Weight, g/mol:	366.140199
ΔH_f, kcal/mol:	-56.44
Dipole, Da:	4.28
IP(EA), eV:	-9.18(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)CCCCN2C(=O)CSC2=S

DOS

IR

Vibrations