Geometry & MOs

Info

ID:	46542
PubChem CID:	10525092
Reduced:	FON3H24C25 (1)
Stoich.:	ABC3D24E25 (1)
Weight, g/mol:	401.220223
ΔH_f, kcal/mol:	-16.56
Dipole, Da:	7.89
IP(EA), eV:	-8.68(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-(dibenzylamino)-1-[(4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]propane-1,3-diol

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(C=C1)N(C=C2CC(=O)NC3=CC=NC=C3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations