Geometry & MOs

Info

ID:	175257
PubChem CID:	75874123
Reduced:	Cl2N3O4C21H25 (1)
Stoich.:	A2B3C4D21E25 (1)
Weight, g/mol:	268.113316
ΔH_f, kcal/mol:	-148.92
Dipole, Da:	4.07
IP(EA), eV:	-8.53(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylbutyl 3-(methylsulfinylmethyl)benzoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC1=CN=C(C=C1)OCCOC)NC(=O)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations