Geometry & MOs

Info

ID:

309148

PubChem CID:

126538739

Reduced:

N2O3C55H56 (1)

Stoich.:

A2B3C55D56 (1)

Weight, g/mol:

431.230788

ΔHf, kcal/mol:

13.07

Dipole, Da:

7.11

IP(EA), eV:

 -7.65(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[3-[(3S)-3-amino-4-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methylbutyl]phenyl]-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N(C2=CC=C(C=C2)C(C)(C)OC)C3=CC=C(C=C3)N(C4=CC=C(C=C4)CC)C5=CC=C(C=C5)OC6=CC=C(C=C6)C(=O)C7=CC=C(C=C7)C(C)(C)C

DOS

IR

Vibrations