Geometry & MOs

Info

ID:	407398
PubChem CID:	135080024
Reduced:	INOC12H14 (1)
Stoich.:	ABCD12E14 (1)
Weight, g/mol:	287.001907
ΔH_f, kcal/mol:	-0.09
Dipole, Da:	4.37
IP(EA), eV:	-9.53(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[5-chloro-2-(methanesulfonamido)phenyl]prop-2-ynoate

Drug info:

PubChemData

Smile

CC=CCN(C1=CC=CC=C1I)C(=O)C

DOS

IR

Vibrations