Geometry & MOs

Info

ID:	406522
PubChem CID:	135077955
Reduced:	ClSO2N4H27C32 (1)
Stoich.:	ABC2D4E27F32 (1)
Weight, g/mol:	224.152478
ΔH_f, kcal/mol:	120.72
Dipole, Da:	8.23
IP(EA), eV:	-7.92(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-diazonio-1-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyethenolate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(CC2=NN=C(C(N2O)C3=CNC4=CC=CC=C43)C5=CC=CC=C5)(C(=O)C6=CC=CC=C6)Cl

DOS

IR

Vibrations