Geometry & MOs

Info

ID:	407399
PubChem CID:	135080025
Reduced:	ClNSO4H10C11 (1)
Stoich.:	ABCD4E10F11 (1)
Weight, g/mol:	278.036128
ΔH_f, kcal/mol:	-95.49
Dipole, Da:	4.58
IP(EA), eV:	-9.29(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-cyano-2-(methanesulfonamido)phenyl]prop-2-ynoate

Drug info:

PubChemData

Smile

COC(=O)C#CC1=C(C=CC(=C1)Cl)NS(=O)(=O)C

DOS

IR

Vibrations