Geometry & MOs

Info

ID:

443546

PubChem CID:

135259290

Reduced:

O3N9C38H43 (1)

Stoich.:

A3B9C38D43 (1)

Weight, g/mol:

632.302351

ΔHf, kcal/mol:

34.69

Dipole, Da:

6.1

IP(EA), eV:

 -8.47(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-N-ethyl-N-[3-(4-fluorophenyl)-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)N(CC[C@@H]4CCN(C4)CC(=O)N5CCC(=CC5)C6=CC=C(C=C6)C7=NN(C=N7)C)C=O

DOS

IR

Vibrations