Geometry & MOs

Info

ID:	182953
PubChem CID:	76962526
Reduced:	OS3C9H14 (4)
Stoich.:	AB3C9D14 (4)
Weight, g/mol:	254.13972
ΔH_f, kcal/mol:	56.0
Dipole, Da:	4.91
IP(EA), eV:	-8.43(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-3-(2-acetamidoethoxy)-2-hydroxypropyl]-trimethylazanium;chloride

Drug info:

PubChemData

Smile

C=CCSS/C=C/C[S@](=O)CC=C.C=CCSS/C=C/C[S@@](=O)CC=C.C=CCSS/C=C\C[S@](=O)CC=C.C=CCSS/C=C\C[S@@](=O)CC=C

DOS

IR

Vibrations