Geometry & MOs

Info

ID:	393580
PubChem CID:	135021139
Reduced:	O2C13H14 (1)
Stoich.:	A2B13C14 (1)
Weight, g/mol:	639.13357
ΔH_f, kcal/mol:	-66.44
Dipole, Da:	1.21
IP(EA), eV:	-9.01(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	-8

Chem-info

IUPAC name:

[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]methanediol;carbanide;rhodium

Drug info:

PubChemData

Smile

CC[C@@]12CC(=O)CC3=C1C(=CC=C3)OC2

DOS

IR

Vibrations