Geometry & MOs

Info

ID:	193364
PubChem CID:	78382937
Reduced:	OC5H8 (3)
Stoich.:	AB5C8 (3)
Weight, g/mol:	312.076182
ΔH_f, kcal/mol:	-149.69
Dipole, Da:	6.28
IP(EA), eV:	-9.86(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

8-(aminomethylsulfanyl)-6-(2-hydroxyethyldisulfanyl)octanoate

Drug info:

PubChemData

Smile

CCC1C(C=CC1=O)CCCCCCCC(=O)O

DOS

IR

Vibrations