Geometry & MOs

Info

ID:	172910
PubChem CID:	75570957
Reduced:	S2N3O3H13C19 (1)
Stoich.:	A2B3C3D13E19 (1)
Weight, g/mol:	416.050064
ΔH_f, kcal/mol:	57.42
Dipole, Da:	7.83
IP(EA), eV:	-8.69(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-methoxy-3-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)[N+](=O)[O-])C=C4C(=O)NC(=S)S4

DOS

IR

Vibrations