Geometry & MOs

Info

ID:	402502
PubChem CID:	135056203
Reduced:	FN2S2O3C20H27 (1)
Stoich.:	AB2C2D3E20F27 (1)
Weight, g/mol:	281.141579
ΔH_f, kcal/mol:	-118.23
Dipole, Da:	4.09
IP(EA), eV:	-8.07(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-(2-methyl-1H-indol-3-yl)-3-phenylpropane-1,2-diol

Drug info:

PubChemData

Smile

CC(C)(C)[S@@](=O)N[C@@H](C1=CC=C(C=C1)N(C)C)[C@H](F)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations