Geometry & MOs

Info

ID:	171114
PubChem CID:	75329800
Reduced:	SN3O6H21C26 (1)
Stoich.:	AB3C6D21E26 (1)
Weight, g/mol:	480.05467
ΔH_f, kcal/mol:	-78.92
Dipole, Da:	6.6
IP(EA), eV:	-9.08(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-[(2-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)COC2=CC=CC(=C2)C=C3C(=O)N(C(=O)S3)CC4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations