Geometry & MOs

Info

ID:

437375

PubChem CID:

135226184

Reduced:

F2O3N5H27C30 (1)

Stoich.:

A2B3C5D27E30 (1)

Weight, g/mol:

585.169144

ΔHf, kcal/mol:

-103.51

Dipole, Da:

3.7

IP(EA), eV:

 -8.66(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,5R)-2-[2-(3-acetyl-5-methylpyrazolo[3,4-c]pyridin-1-yl)acetyl]-N-[3-(4-chloro-1H-benzimidazol-5-yl)-2-fluorophenyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NN(C2=CC=CC=C21)CC(=O)N3C[C@@H](C[C@H]3C(=O)NC4=CC=CC(=C4F)C5=CC6=C(C=C5)NC=C6)F)O

DOS

IR

Vibrations