Geometry & MOs

Info

ID:	40158
PubChem CID:	8143661
Reduced:	ClO2N3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	334.03429
ΔH_f, kcal/mol:	-75.09
Dipole, Da:	0.56
IP(EA), eV:	-9.17(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-1-(3-chloro-4-fluorophenyl)sulfanylethyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC[C@]1(C(=O)N(C(=O)N1)CN2CCCC2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations