Geometry & MOs

Info

ID:

16727

PubChem CID:

476059

Reduced:

O5N6C40H50 (1)

Stoich.:

A5B6C40D50 (1)

Weight, g/mol:

694.384269

ΔHf, kcal/mol:

-136.78

Dipole, Da:

7.23

IP(EA), eV:

 -9.09(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(2S,3S)-4-[benzyl-[[(2S)-2-[[(6-ethylpyridin-2-yl)methyl-methylcarbamoyl]amino]-3-methylbutanoyl]amino]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC1=NC(=CC=C1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)NN(CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)O

DOS

IR

Vibrations