Geometry & MOs

Info

ID:	86910
PubChem CID:	49889967
Reduced:	BrSCl2N2O4H17C25 (1)
Stoich.:	ABC2D2E4F17G25 (1)
Weight, g/mol:	423.057672
ΔH_f, kcal/mol:	-83.88
Dipole, Da:	1.51
IP(EA), eV:	-9.06(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] furan-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl)Br

DOS

IR

Vibrations