Geometry & MOs

Info

ID:	40161
PubChem CID:	8143666
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	334.03429
ΔH_f, kcal/mol:	-103.4
Dipole, Da:	2.24
IP(EA), eV:	-9.01(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations