Geometry & MOs

Info

ID:

43643

PubChem CID:

10321584

Reduced:

NO4C28H37 (1)

Stoich.:

AB4C28D37 (1)

Weight, g/mol:

451.283492

ΔHf, kcal/mol:

-172.34

Dipole, Da:

1.82

IP(EA), eV:

 -9.32(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-N-(cyclopropylmethyl)-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]propanamide

Drug info:

PubChemData

Smile

CC1(N([C@H]([C@@H](O1)CC(CO)/C=C/C2=CC=CC=C2)CC3=CC=CC=C3)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations