Geometry & MOs

Info

ID:	144957
PubChem CID:	53439012
Reduced:	ON2S2C5H6 (1)
Stoich.:	AB2C2D5E6 (1)
Weight, g/mol:	254.22458
ΔH_f, kcal/mol:	-8.06
Dipole, Da:	6.04
IP(EA), eV:	-8.62(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexadec-6-enoic acid

Drug info:

PubChemData

Smile

CN1C(=O)C(=CN)SC1=S

DOS

IR

Vibrations