Geometry & MOs

Info

ID:	171139
PubChem CID:	75332768
Reduced:	ClFSN2O4H20C25 (1)
Stoich.:	ABCD2E4F20G25 (1)
Weight, g/mol:	501.044914
ΔH_f, kcal/mol:	-147.14
Dipole, Da:	8.04
IP(EA), eV:	-8.74(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C=C3C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)F)Cl

DOS

IR

Vibrations