Geometry & MOs

Info

ID:

163306

PubChem CID:

57725304

Reduced:

N3O4H19C22 (1)

Stoich.:

A3B4C19D22 (1)

Weight, g/mol:

581.286286

ΔHf, kcal/mol:

53.16

Dipole, Da:

9.86

IP(EA), eV:

 -8.89(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2S)-2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-2-cyclobutylethyl]-2-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide

Drug info:

PubChemData

Smile

C1CC2CC(=C3C4=C(C(=CC=C4)O)OC5=C3C=CC(=C5)C6=NC(=O)ON6)CC1N2

DOS

IR

Vibrations