Geometry & MOs

Info

ID:

314811

PubChem CID:

126623389

Reduced:

O3N5C25H25 (1)

Stoich.:

A3B5C25D25 (1)

Weight, g/mol:

647.10404

ΔHf, kcal/mol:

-8.57

Dipole, Da:

3.21

IP(EA), eV:

 -8.98(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[3-acetyl-1-[2-[(2S,4R)-2-[(6-bromopyridin-2-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(C)CC2=CC3=C(C=C2C4=CN=C(N=C4)C)C(=NN3CC(=O)O)C(=O)C

DOS

IR

Vibrations