Geometry & MOs

Info

ID:	88498
PubChem CID:	49903874
Reduced:	SN3O7H15C22 (1)
Stoich.:	AB3C7D15E22 (1)
Weight, g/mol:	434.033935
ΔH_f, kcal/mol:	-37.84
Dipole, Da:	11.12
IP(EA), eV:	-9.12(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations