Geometry & MOs

Info

ID:	88447
PubChem CID:	49903556
Reduced:	BrSN2O4H21C25 (1)
Stoich.:	ABC2D4E21F25 (1)
Weight, g/mol:	560.080885
ΔH_f, kcal/mol:	-91.05
Dipole, Da:	4.66
IP(EA), eV:	-8.61(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-[(2-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Br

DOS

IR

Vibrations