Geometry & MOs

Info

ID:	87029
PubChem CID:	49890757
Reduced:	BrSN3O7H16C20 (1)
Stoich.:	ABC3D7E16F20 (1)
Weight, g/mol:	477.039749
ΔH_f, kcal/mol:	-126.32
Dipole, Da:	6.26
IP(EA), eV:	-9.39(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CN2C(=O)/C(=C/C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Br)/SC2=O

DOS

IR

Vibrations