Geometry & MOs

Info

ID:	259259
PubChem CID:	103162300
Reduced:	ClNSO4C13H16 (1)
Stoich.:	ABCD4E13F16 (1)
Weight, g/mol:	331.064507
ΔH_f, kcal/mol:	-146.8
Dipole, Da:	10.94
IP(EA), eV:	-9.13(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2-cyclobutylacetyl)amino]methyl]-4-methoxybenzenesulfonyl chloride

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)CC2CCC2)S(=O)(=O)Cl

DOS

IR

Vibrations