Geometry & MOs

Info

ID:	3201
PubChem CID:	9319
Reduced:	NSO2C15H27 (1)
Stoich.:	ABC2D15E27 (1)
Weight, g/mol:	285.17625
ΔH_f, kcal/mol:	-106.35
Dipole, Da:	5.18
IP(EA), eV:	-9.63(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-thiocyanatoethyl dodecanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)OCCSC#N

DOS

IR

Vibrations