Geometry & MOs

Info

ID:	2820
PubChem CID:	8649
Reduced:	SN2O6C20H32 (1)
Stoich.:	AB2C6D20E32 (1)
Weight, g/mol:	428.198108
ΔH_f, kcal/mol:	-253.92
Dipole, Da:	11.12
IP(EA), eV:	-9.32(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1R,2R)-2-(methylamino)-1-phenylpropan-1-ol;sulfuric acid

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C1=CC=CC=C1)O)NC.C[C@@H]([C@@H](C1=CC=CC=C1)O)NC.OS(=O)(=O)O

DOS

IR

Vibrations