Geometry & MOs

Info

ID:	148269
PubChem CID:	53787931
Reduced:	OSN3C4H5 (1)
Stoich.:	ABC3D4E5 (1)
Weight, g/mol:	291.105978
ΔH_f, kcal/mol:	-5.78
Dipole, Da:	6.53
IP(EA), eV:	-9.35(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[3-(octylamino)-3-oxoprop-1-enyl] 2-chloroethanethioate

Drug info:

PubChemData

Smile

CC(=O)NC1=NC=NS1

DOS

IR

Vibrations