Geometry & MOs

Info

ID:	132654
PubChem CID:	51393686
Reduced:	ClFSN2O3H13C19 (1)
Stoich.:	ABCD2E3F13G19 (1)
Weight, g/mol:	322.168128
ΔH_f, kcal/mol:	-48.67
Dipole, Da:	2.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.197731
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethylphenoxy)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)[N-]C3=CC=C(C=C3)F

DOS

IR

Vibrations