Geometry & MOs

Info

ID:

328430

PubChem CID:

126723008

Reduced:

O2S2N3C23H27 (1)

Stoich.:

A2B2C3D23E27 (1)

Weight, g/mol:

548.249566

ΔHf, kcal/mol:

-5.1

Dipole, Da:

1.58

IP(EA), eV:

 -8.19(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[2-[[(2S,3S)-2-[[2-(hydroxymethyl)benzoyl]amino]-3-methylpentanoyl]amino]acetyl]-N-(2H-tetrazol-5-ylmethyl)-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

C/C=C(\C1=CC(=C(C=C1N=C)OCCO)SC(C)(C)C)/NC2=CC3=C(C=C2)SC=N3

DOS

IR

Vibrations