Geometry & MOs

Info

ID:

16545

PubChem CID:

472429

Reduced:

S2N6O6C37H40 (1)

Stoich.:

A2B6C6D37E40 (1)

Weight, g/mol:

728.245075

ΔHf, kcal/mol:

-145.76

Dipole, Da:

13.65

IP(EA), eV:

 -9.01(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide

Drug info:

PubChemData

Smile

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)N)NC(=O)C2=NC3=CC=CC=C3C=C2)O)S(=O)(=O)C4=CC=C(S4)C5=CC=CC=N5

DOS

IR

Vibrations