Geometry & MOs

Info

ID:

314893

PubChem CID:

126623921

Reduced:

SN2O6C28H34 (1)

Stoich.:

AB2C6D28E34 (1)

Weight, g/mol:

594.11388

ΔHf, kcal/mol:

-194.06

Dipole, Da:

2.96

IP(EA), eV:

 -8.68(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-N-(6-bromopyridin-2-yl)-4-fluoro-1-[2-[(3Z)-5-(2-methylpyrimidin-5-yl)-3-(1-nitrosoethylidene)-2H-indazol-1-yl]acetyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCC2(CC1)OCCO2)C3=C(C(=C(S3)C#CCNC(=O)OCC4=CC=CC=C4)C(=O)OC)C

DOS

IR

Vibrations