Geometry & MOs

Info

ID:

412104

PubChem CID:

135084978

Reduced:

N2O3C27H29 (2)

Stoich.:

A2B3C27D29 (2)

Weight, g/mol:

485.20455

ΔHf, kcal/mol:

-87.27

Dipole, Da:

2.52

IP(EA), eV:

 -8.48(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R)-2-[bis[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol;propan-2-ol;titanium

Drug info:

PubChemData

Smile

CC[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=C4C=C(C=CC4=NC=C3)OC)OC5=C6C(=O)C7C=CC=CC7C(=O)C6=C(C=C5)O[C@@H]([C@@H]8C[C@@H]9CCN8C[C@H]9CC)C1=C2C=C(C=CC2=NC=C1)OC

DOS

IR

Vibrations