Geometry & MOs

Info

ID:	233161
PubChem CID:	87692701
Reduced:	O5C20H34 (1)
Stoich.:	A5B20C34 (1)
Weight, g/mol:	347.095807
ΔH_f, kcal/mol:	-235.67
Dipole, Da:	8.88
IP(EA), eV:	-9.17(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[benzyl(tert-butyl)carbamoyl] 3-chloropropane-1-sulfonate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC/C=C/C=C(/C(=C(/C(=O)O)\O)/O)\O

DOS

IR

Vibrations