Geometry & MOs

Info

ID:	171094
PubChem CID:	75327788
Reduced:	BrClNSO5H21C30 (1)
Stoich.:	ABCDE5F21G30 (1)
Weight, g/mol:	373.073242
ΔH_f, kcal/mol:	-95.09
Dipole, Da:	4.11
IP(EA), eV:	-9.14(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-(dimethylamino)furan-2-yl]methylidene]-3-[(2-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC4=CC=CC=C4C=C3)Br)OC(=O)C5=CC=CC=C5Cl

DOS

IR

Vibrations