Geometry & MOs

Info

ID:

436541

PubChem CID:

135205092

Reduced:

FO2N8C24H27 (1)

Stoich.:

AB2C8D24E27 (1)

Weight, g/mol:

642.271444

ΔHf, kcal/mol:

14.06

Dipole, Da:

7.68

IP(EA), eV:

 -8.4(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-3-[[4-[4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]amino]pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NO1)C(=O)NCC2=CC(=CC(=C2)F)C3=C4C(=NC=C3)NN=C4N[C@@H]5CCNC5

DOS

IR

Vibrations