Geometry & MOs

Info

ID:	21212
PubChem CID:	587681
Reduced:	NSO3C18H29 (1)
Stoich.:	ABC3D18E29 (1)
Weight, g/mol:	339.186815
ΔH_f, kcal/mol:	-129.67
Dipole, Da:	6.76
IP(EA), eV:	-9.51(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(tert-butyliminomethyl)-2-ethylbutyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCC(CC)(COS(=O)(=O)C1=CC=C(C=C1)C)C=NC(C)(C)C

DOS

IR

Vibrations