Geometry & MOs

Info

ID:	222051
PubChem CID:	85293669
Reduced:	S2O7C24H42 (1)
Stoich.:	A2B7C24D42 (1)
Weight, g/mol:	507.192688
ΔH_f, kcal/mol:	-324.15
Dipole, Da:	1.96
IP(EA), eV:	-8.88(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trimethyl 1-[[(4-methylphenyl)sulfonylamino]methyl]undec-1-en-6-yne-1,4,4-tricarboxylate

Drug info:

PubChemData

Smile

CCOCCOCCCC1C(CCC2C(O1)CCC(=O)C(O2)C3SCCCS3)(C)OCOC

DOS

IR

Vibrations