Geometry & MOs

Info

ID:

83134

PubChem CID:

49857191

Reduced:

N5O10C25H33 (1)

Stoich.:

A5B10C25D33 (1)

Weight, g/mol:

524.194772

ΔHf, kcal/mol:

-401.9

Dipole, Da:

4.24

IP(EA), eV:

 -9.1(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1R)-1-[5-[[2-(5-cyanopyridin-3-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]pyridin-2-yl]-1-(3,4-difluorophenyl)ethyl]-2,2-difluoroacetamide

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1C(=O)NCC(COC(=O)C2=CC(=CC(=C2)C(=O)NCC(CO)O)N)O)N)C(=O)NCC(CO)O

DOS

IR

Vibrations