Geometry & MOs

Info

ID:

322793

PubChem CID:

126671138

Reduced:

O3N7C37H39 (1)

Stoich.:

A3B7C37D39 (1)

Weight, g/mol:

631.15427

ΔHf, kcal/mol:

59.3

Dipole, Da:

5.04

IP(EA), eV:

 -8.51(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,5S,6S)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromopyridin-2-yl)-5-(methoxymethyl)-6-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C#CC#CC3=C(C=C(C=C3)C4=CN=C(N4)[C@@H]5CCCN5)C6=CC=CC=C6)NC(=O)OC

DOS

IR

Vibrations