Geometry & MOs

Info

ID:	48615
PubChem CID:	11109976
Reduced:	ON3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	320.037085
ΔH_f, kcal/mol:	40.79
Dipole, Da:	2.06
IP(EA), eV:	-8.3(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2,3-bis(2-chlorophenyl)-2,6-dihydropyran-3-ol

Drug info:

PubChemData

Smile

CC(C)(C1=CN(C2=CC=CC=C21)C)C(C#N)NC3=CC=CC=C3O

DOS

IR

Vibrations