Geometry & MOs

Info

ID:	228876
PubChem CID:	87566042
Reduced:	S2C13H28 (1)
Stoich.:	A2B13C28 (1)
Weight, g/mol:	308.152478
ΔH_f, kcal/mol:	-62.57
Dipole, Da:	2.31
IP(EA), eV:	-9.0(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-6-(1-naphthalen-1-ylethylamino)hex-4-en-2-ynyl]carbamic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCC(CCS)S

DOS

IR

Vibrations