Geometry & MOs

Info

ID:	32557
PubChem CID:	7843900
Reduced:	ClFO2C19H22 (1)
Stoich.:	ABC2D19E22 (1)
Weight, g/mol:	420.106312
ΔH_f, kcal/mol:	-165.03
Dipole, Da:	4.89
IP(EA), eV:	-9.81(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-(2,4-dimethylphenyl)quinazolin-4-one

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)F)OC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

DOS

IR

Vibrations