Geometry & MOs

Info

ID:

17736

PubChem CID:

515772

Reduced:

SO5N6C38H48 (1)

Stoich.:

AB5C6D38E48 (1)

Weight, g/mol:

700.34069

ΔHf, kcal/mol:

-151.13

Dipole, Da:

7.42

IP(EA), eV:

 -9.44(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

pyridin-3-ylmethyl N-[(2S,3S,5S)-5-[[(2S)-2-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylcarbamoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CC=C4)O

DOS

IR

Vibrations