Geometry & MOs

Info

ID:	406663
PubChem CID:	135078306
Reduced:	NSO5C15H21 (1)
Stoich.:	ABC5D15E21 (1)
Weight, g/mol:	313.098394
ΔH_f, kcal/mol:	-187.85
Dipole, Da:	8.01
IP(EA), eV:	-9.96(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-methylphenyl)sulfonyloxyiminohexanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)ON=C(C)CC(=O)OC(C)(C)C

DOS

IR

Vibrations