Geometry & MOs

Info

ID:

307943

PubChem CID:

125310830

Reduced:

NO5C20H21 (1)

Stoich.:

AB5C20D21 (1)

Weight, g/mol:

537.377786

ΔHf, kcal/mol:

-184.25

Dipole, Da:

3.31

IP(EA), eV:

 -9.06(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4S,5S,7R)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-hydroxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide

Drug info:

PubChemData

Smile

C[C@@H](C1C2=CC=CC=C2C3=CC=CC=C13)OC(=O)N[C@@H]([C@H](C)O)C(=O)O

DOS

IR

Vibrations