Geometry & MOs

Info

ID:	87977
PubChem CID:	49899251
Reduced:	SBr2N2O4H22C30 (1)
Stoich.:	AB2C2D4E22F30 (1)
Weight, g/mol:	424.041519
ΔH_f, kcal/mol:	-59.55
Dipole, Da:	1.23
IP(EA), eV:	-8.77(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2Br)/C=C\3/C(=O)N(C(=O)S3)CC4=CC5=CC=CC=C5C=C4)Br

DOS

IR

Vibrations