Geometry & MOs

Info

ID:	146352
PubChem CID:	53673955
Reduced:	ClSN2O4H9C13 (1)
Stoich.:	ABC2D4E9F13 (1)
Weight, g/mol:	248.17763
ΔH_f, kcal/mol:	-104.08
Dipole, Da:	3.87
IP(EA), eV:	-8.97(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyloctyl benzoate

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC=C2Cl)C(=C1)S(=O)(=O)N3C=C(NC3=O)O

DOS

IR

Vibrations