Geometry & MOs

Info

ID:	86722
PubChem CID:	49888667
Reduced:	ClSN2O5H15C22 (1)
Stoich.:	ABC2D5E15F22 (1)
Weight, g/mol:	511.060484
ΔH_f, kcal/mol:	-36.82
Dipole, Da:	6.76
IP(EA), eV:	-9.23(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-chlorophenyl)methyl]-5-[[3-ethoxy-4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations