Geometry & MOs

Info

ID:

328428

PubChem CID:

126722997

Reduced:

N2S2O4F12C43H46 (1)

Stoich.:

A2B2C4D12E43F46 (1)

Weight, g/mol:

560.285952

ΔHf, kcal/mol:

-788.75

Dipole, Da:

4.34

IP(EA), eV:

 -9.25(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[2-[[(2S,3S)-3-methyl-2-[(2-phenylacetyl)amino]pentanoyl]amino]acetyl]-N-[1-(2H-tetrazol-5-yl)propan-2-yl]-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1S(=O)(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C)C(C)(C)CCC(C)C3=CC(=C(C(=C3)C(C)C)NS(=O)(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C(C)C

DOS

IR

Vibrations