Geometry & MOs

Info

ID:	136818
PubChem CID:	52105959
Reduced:	ClSN2O4H12C19 (1)
Stoich.:	ABC2D4E12F19 (1)
Weight, g/mol:	313.167794
ΔH_f, kcal/mol:	-52.29
Dipole, Da:	6.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.153940
Charge, e:	0

Chem-info

IUPAC name:

4,5-dimethoxy-2-methyl-N-[(1S)-1-phenylpropyl]benzamide

Drug info:

PubChemData

Smile

CN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)S(=O)(=O)[N-]C4=CC=C(C=C4)Cl

DOS

IR

Vibrations