Geometry & MOs

Info

ID:	278680
PubChem CID:	103836997
Reduced:	SN2O2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	295.087829
ΔH_f, kcal/mol:	-45.76
Dipole, Da:	5.67
IP(EA), eV:	-9.95(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(hex-5-ynylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CC1(CCCCC1)CNS(=O)(=O)C2=CC=CC=C2C#N

DOS

IR

Vibrations