Geometry & MOs

Info

ID:	380689
PubChem CID:	134971212
Reduced:	NO2H21C26 (1)
Stoich.:	AB2C21D26 (1)
Weight, g/mol:	443.267173
ΔH_f, kcal/mol:	20.16
Dipole, Da:	2.66
IP(EA), eV:	-8.5(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-4-[[(1R)-1-phenylethyl]amino]-5-phenylmethoxypentane-1,2-diol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)O

DOS

IR

Vibrations