Geometry & MOs

Info

ID:	297990
PubChem CID:	117644793
Reduced:	BrNF2S2O3C22H22 (1)
Stoich.:	ABC2D2E3F22G22 (1)
Weight, g/mol:	639.104024
ΔH_f, kcal/mol:	-159.62
Dipole, Da:	2.34
IP(EA), eV:	-8.75(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-chloro-3-(trifluoromethyl)pyridin-2-yl]methyl]-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-thiane]-5-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2C3(CCSCC3)C4=C(N2S(=O)(=O)C5=CC=CC(=C5)OC(F)F)C=CC(=C4)Br

DOS

IR

Vibrations