Geometry & MOs

Info

ID:

49400

PubChem CID:

11532971

Reduced:

N3O4C28H31 (1)

Stoich.:

A3B4C28D31 (1)

Weight, g/mol:

473.288971

ΔHf, kcal/mol:

-101.63

Dipole, Da:

6.04

IP(EA), eV:

 -9.64(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)pyridin-2-yl]ethyl]amino]-2-methylpropyl]phenyl]-N-(3-propoxypropyl)acetamide

Drug info:

PubChemData

Smile

C[C@@H]1C2C(C(C(C[C@]2(C(=O)O1)C(=O)NCCO)C)C)/C=C/C3=NC=C(C=C3)C4=CC=CC(=C4)C#N

DOS

IR

Vibrations