Geometry & MOs

Info

ID:	435211
PubChem CID:	135184743
Reduced:	ClFN2S2O6C22H24 (1)
Stoich.:	ABC2D2E6F22G24 (1)
Weight, g/mol:	295.149619
ΔH_f, kcal/mol:	-249.18
Dipole, Da:	5.47
IP(EA), eV:	-8.74(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-N-(2,2-difluoroethyl)-5-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),7-triene-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2(C1)C3=C(C(=CC(=C3)NS(=O)(=O)C4=C(C=C(C=C4)Cl)F)OC5CCS(CC5)(O)O)NC2=O

DOS

IR

Vibrations