Geometry & MOs

Info

ID:

439586

PubChem CID:

135229362

Reduced:

FO2N9C22H26 (1)

Stoich.:

AB2C9D22E26 (1)

Weight, g/mol:

621.317586

ΔHf, kcal/mol:

71.48

Dipole, Da:

1.15

IP(EA), eV:

 -8.1(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-1-[2-hydroxy-2-[1-(5-pyrimidin-2-ylpyridin-2-yl)piperidin-4-yl]ethyl]-3-methoxy-N-(3-pyridin-4-yl-3a,4-dihydro-1H-indazol-5-yl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=NC2=C(N=C(N=C21)N3CC(C(C3)F)NC(=O)C=C)NC4=CN(N=C4OC)C56CC(C5)C6

DOS

IR

Vibrations