Geometry & MOs

Info

ID:	88487
PubChem CID:	49903764
Reduced:	BrClISN2O5H21C27 (1)
Stoich.:	ABCDE2F5G21H27 (1)
Weight, g/mol:	480.05467
ΔH_f, kcal/mol:	-101.96
Dipole, Da:	3.79
IP(EA), eV:	-9.36(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC2=C(C=C(C=C2I)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Br)OC)Cl

DOS

IR

Vibrations