Geometry & MOs

Info

ID:

376435

PubChem CID:

134222448

Reduced:

O2N7C27H31 (1)

Stoich.:

A2B7C27D31 (1)

Weight, g/mol:

605.204762

ΔHf, kcal/mol:

25.69

Dipole, Da:

5.41

IP(EA), eV:

 -8.77(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-fluoro-2-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N)N

DOS

IR

Vibrations