Geometry & MOs

Info

ID:	231473
PubChem CID:	87573828
Reduced:	SO3F4N4H22C23 (1)
Stoich.:	AB3C4D4E22F23 (1)
Weight, g/mol:	354.167853
ΔH_f, kcal/mol:	-207.81
Dipole, Da:	9.37
IP(EA), eV:	-8.82(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-carboxy-3-methylcyclohexanecarbonyl)oxycarbonyl-6-methylcyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=C(C=C(C=C1F)CNC(=O)/C=C\C2=C(N=C(C=C2)C(F)(F)F)N3CCCC3)C#C

DOS

IR

Vibrations