Geometry & MOs

Info

ID:	86773
PubChem CID:	49889166
Reduced:	ClSN2O5H17C23 (1)
Stoich.:	ABC2D5E17F23 (1)
Weight, g/mol:	476.076155
ΔH_f, kcal/mol:	-58.17
Dipole, Da:	3.26
IP(EA), eV:	-9.19(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)[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