Geometry & MOs

Info

ID:	84617
PubChem CID:	49868636
Reduced:	SO2N3H11C13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	422.102431
ΔH_f, kcal/mol:	19.49
Dipole, Da:	1.74
IP(EA), eV:	-8.53(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-4-fluoro-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,15-pentaen-10-one

Drug info:

PubChemData

Smile

COC(=O)CN1C2=CC=CC=C2C(=N1)C3=CSC=N3

DOS

IR

Vibrations