Geometry & MOs

Info

ID:	53269
PubChem CID:	14709947
Reduced:	OSN2C10H18 (1)
Stoich.:	ABC2D10E18 (1)
Weight, g/mol:	233.108565
ΔH_f, kcal/mol:	-45.41
Dipole, Da:	4.06
IP(EA), eV:	-9.32(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(diethylcarbamoylsulfanyl)butanoate

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)SCCC#N

DOS

IR

Vibrations