Geometry & MOs

Info

ID:

125416

PubChem CID:

50923397

Reduced:

FO2S2N3H12C17 (1)

Stoich.:

AB2C2D3E12F17 (1)

Weight, g/mol:

416.181874

ΔHf, kcal/mol:

-12.28

Dipole, Da:

7.12

IP(EA), eV:

 -9.22(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[4-[(6-chloro-2,7-dideuteriothieno[3,2-d]pyrimidin-4-yl)-deuterioamino]-2,2,3,3,4,5,5,6,6-nonadeuteriopiperidin-1-yl]-dideuteriomethyl]-3-deuterio-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NS(=O)(=O)C2=CC3=C(C=C2)N=C(N3)C4=CSC=C4)F

DOS

IR

Vibrations