Geometry & MOs

Info

ID:	45673
PubChem CID:	10516409
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	273.118735
ΔH_f, kcal/mol:	-77.01
Dipole, Da:	5.67
IP(EA), eV:	-9.16(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-1-[(R)-benzylsulfinyl]-1-phenylpropan-2-amine

Drug info:

PubChemData

Smile

CCC[C@@H]1CCC[C@@H]2N1[C@H](COC2=O)C3=CC=CC=C3

DOS

IR

Vibrations