Geometry & MOs

Info

ID:

437285

PubChem CID:

135221545

Reduced:

O2N3F6C27H31 (1)

Stoich.:

A2B3C6D27E31 (1)

Weight, g/mol:

584.19836

ΔHf, kcal/mol:

-384.27

Dipole, Da:

9.17

IP(EA), eV:

 -8.6(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[(2S,4R)-2-[[3-(3-acetyl-1H-indol-6-yl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1[C@H](C(F)(F)F)O)N=C(N2C3CC(CC(C3)(C)C)(C)C)NC4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations