Geometry & MOs

Info

ID:	86701
PubChem CID:	49888532
Reduced:	ClSN2O6H15C22 (1)
Stoich.:	ABC2D6E15F22 (1)
Weight, g/mol:	453.043771
ΔH_f, kcal/mol:	-76.85
Dipole, Da:	5.87
IP(EA), eV:	-9.12(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-[(Z)-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

COC1=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