Geometry & MOs

Info

ID:	247790
PubChem CID:	103073260
Reduced:	NS2C8H15 (1)
Stoich.:	AB2C8D15 (1)
Weight, g/mol:	187.139471
ΔH_f, kcal/mol:	7.35
Dipole, Da:	0.87
IP(EA), eV:	-8.62(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[butan-2-yl(ethyl)amino]methyl]prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

C=C(CN1CCSCC1)CS

DOS

IR

Vibrations