Geometry & MOs

Info

ID:	184253
PubChem CID:	77134670
Reduced:	PO3C8H18 (1)
Stoich.:	AB3C8D18 (1)
Weight, g/mol:	179.053548
ΔH_f, kcal/mol:	-179.44
Dipole, Da:	5.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752830
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloroprop-2-enylsulfanyl)butan-1-amine

Drug info:

PubChemData

Smile

CCCCCC(O)P(=O)(CC)[O-]

DOS

IR

Vibrations