Geometry & MOs

Info

ID:	32198
PubChem CID:	6435863
Reduced:	O5C21H42 (1)
Stoich.:	A5B21C42 (1)
Weight, g/mol:	434.27021
ΔH_f, kcal/mol:	-293.17
Dipole, Da:	4.92
IP(EA), eV:	-9.6(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl (E)-18-sulfooxyoctadec-9-enoate

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCC(=O)O.C(C(CO)O)O

DOS

IR

Vibrations