Geometry & MOs

Info

ID:	133633
PubChem CID:	51566627
Reduced:	SO2N3C17H26 (1)
Stoich.:	AB2C3D17E26 (1)
Weight, g/mol:	431.060963
ΔH_f, kcal/mol:	-66.3
Dipole, Da:	16.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.909407
Charge, e:	0

Chem-info

IUPAC name:

N-[(5Z)-3-ethyl-5-[(3-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C[NH+]3CCCCCC3)C

DOS

IR

Vibrations