Geometry & MOs

Info

ID:	394822
PubChem CID:	135023866
Reduced:	SN2O2C25H26 (1)
Stoich.:	AB2C2D25E26 (1)
Weight, g/mol:	280.109944
ΔH_f, kcal/mol:	-8.9
Dipole, Da:	6.02
IP(EA), eV:	-9.19(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-benzoyl-3-(4-methylphenyl)oxolan-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2[C@H](C3=CC=CC=C3C2=NC(C)(C)C)C4=CC=CC=C4

DOS

IR

Vibrations