Geometry & MOs

Info

ID:

302077

PubChem CID:

124349223

Reduced:

N4O5C37H48 (1)

Stoich.:

A4B5C37D48 (1)

Weight, g/mol:

405.189986

ΔHf, kcal/mol:

-196.2

Dipole, Da:

6.06

IP(EA), eV:

 -9.02(0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-3-[(2R)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC(=O)N[C@H](CC2=CC=CC=C2)[C@@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O

DOS

IR

Vibrations