Geometry & MOs

Info

ID:	382118
PubChem CID:	134973062
Reduced:	ClNO3C19H24 (1)
Stoich.:	ABC3D19E24 (1)
Weight, g/mol:	313.167794
ΔH_f, kcal/mol:	-103.67
Dipole, Da:	1.22
IP(EA), eV:	-8.83(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-[benzyl-[[(2S)-oxiran-2-yl]methyl]amino]-3-phenylpropane-1,2-diol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(C[C@@H](CCl)O)[C@@H](C2=CC=CC=C2)[C@@H](CO)O

DOS

IR

Vibrations