Geometry & MOs

Info

ID:	386520
PubChem CID:	134982025
Reduced:	NSO4C28H37 (1)
Stoich.:	ABC4D28E37 (1)
Weight, g/mol:	420.16066
ΔH_f, kcal/mol:	-121.86
Dipole, Da:	2.39
IP(EA), eV:	-8.75(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4S,5R)-4-methoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-(4-methylphenyl)sulfonylethanol

Drug info:

PubChemData

Smile

CC(C)C1=C(C=C2C(=C1)CC2(CCCCC(C)(C)C(CS(=O)(=O)C3=CC=CC=C3)O)C#N)OC

DOS

IR

Vibrations