Geometry & MOs

Info

ID:	45851
PubChem CID:	10518231
Reduced:	ClOS4C9H11 (1)
Stoich.:	ABC4D9E11 (1)
Weight, g/mol:	172.133754
ΔH_f, kcal/mol:	-37.41
Dipole, Da:	1.84
IP(EA), eV:	-8.98(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(E)-but-2-enyl]-(2-methoxy-2-oxoethyl)-dimethylazanium

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CSSSSCCO)Cl

DOS

IR

Vibrations