Geometry & MOs

Info

ID:

317534

PubChem CID:

126643151

Reduced:

IO2N5C21H26 (1)

Stoich.:

AB2C5D21E26 (1)

Weight, g/mol:

603.12296

ΔHf, kcal/mol:

4.7

Dipole, Da:

4.9

IP(EA), eV:

 -8.79(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2CN(C)C)N(N=C3I)CC(=O)OC(C)(C)C

DOS

IR

Vibrations