Geometry & MOs

Info

ID:	86690
PubChem CID:	49888520
Reduced:	ClSN2O6H15C22 (1)
Stoich.:	ABC2D6E15F22 (1)
Weight, g/mol:	526.007632
ΔH_f, kcal/mol:	-78.7
Dipole, Da:	6.43
IP(EA), eV:	-9.14(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-chlorophenyl)methyl]-5-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations