Geometry & MOs

Info

ID:	226364
PubChem CID:	87350837
Reduced:	N3O5C34H51 (1)
Stoich.:	A3B5C34D51 (1)
Weight, g/mol:	208.07693
ΔH_f, kcal/mol:	-162.77
Dipole, Da:	3.03
IP(EA), eV:	-9.09(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(oxetan-3-yl)pentane-1-sulfonic acid

Drug info:

PubChemData

Smile

CC/C=C\C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)NCC(CNC(=O)/C=C/C(=O)OC)N1CCOCC1

DOS

IR

Vibrations