Geometry & MOs

Info

ID:	329274
PubChem CID:	126733849
Reduced:	BrSN2O3F5H12C15 (1)
Stoich.:	ABC2D3E5F12G15 (1)
Weight, g/mol:	345.24565
ΔH_f, kcal/mol:	-304.39
Dipole, Da:	4.17
IP(EA), eV:	-10.28(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,6E,10E,12E)-8,9,13-trimethyl-10-[(Z)-pent-2-enyl]-5-azabicyclo[12.4.0]octadeca-1(18),2,4,6,10,12,14,16-octaene

Drug info:

PubChemData

Smile

CS(=O)(=O)/C(=C\C[C@@](CF)(C1=C(C=CC(=C1)Br)F)NC(=O)C(F)(F)F)/C#N

DOS

IR

Vibrations