Geometry & MOs

Info

ID:	402451
PubChem CID:	135056013
Reduced:	SO2C21H24 (1)
Stoich.:	AB2C21D24 (1)
Weight, g/mol:	249.209264
ΔH_f, kcal/mol:	-59.29
Dipole, Da:	1.06
IP(EA), eV:	-8.59(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6R)-6-anilinodecan-5-ol

Drug info:

PubChemData

Smile

C1CCC[C@@H]([C@H](CC1)OC(=O)C2=CC=CC=C2)SC3=CC=CC=C3

DOS

IR

Vibrations