Geometry & MOs

Info

ID:	147571
PubChem CID:	53787227
Reduced:	NOSC10H17 (1)
Stoich.:	ABCD10E17 (1)
Weight, g/mol:	297.17625
ΔH_f, kcal/mol:	-19.64
Dipole, Da:	2.34
IP(EA), eV:	-8.63(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-octyl-4-oxo-6-sulfanylocta-2,7-dienamide

Drug info:

PubChemData

Smile

CN(C)CC1=CC=C(O1)CCSC

DOS

IR

Vibrations