Geometry & MOs

Info

ID:

443520

PubChem CID:

135259247

Reduced:

O4N5C26H31 (1)

Stoich.:

A4B5C26D31 (1)

Weight, g/mol:

629.322672

ΔHf, kcal/mol:

-103.25

Dipole, Da:

5.45

IP(EA), eV:

 -8.25(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-N-ethyl-N-[3-(6-methylpyridin-3-yl)-1H-indazol-5-yl]-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC1=NC=C(C=C1)C2=NNC3=C2C=C(C=C3)N4CCC5(C4=O)CN(C5)C(=O)OC(C)(C)C

DOS

IR

Vibrations