Geometry & MOs

Info

ID:	88228
PubChem CID:	49902440
Reduced:	BrSN2O4H13C19 (1)
Stoich.:	ABC2D4E13F19 (1)
Weight, g/mol:	434.02998
ΔH_f, kcal/mol:	-4.95
Dipole, Da:	4.71
IP(EA), eV:	-9.7(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[[5-(diethylamino)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br

DOS

IR

Vibrations