Geometry & MOs

Info

ID:	249519
PubChem CID:	103090186
Reduced:	SO3C10H18 (1)
Stoich.:	AB3C10D18 (1)
Weight, g/mol:	246.128966
ΔH_f, kcal/mol:	-151.16
Dipole, Da:	0.92
IP(EA), eV:	-8.67(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 7-methylsulfanyl-4-oxoheptanoate

Drug info:

PubChemData

Smile

CC(CC(=O)CCCSC)C(=O)OC

DOS

IR

Vibrations