Geometry & MOs

Info

ID:	171177
PubChem CID:	75339575
Reduced:	I2N2S2O7H20C26 (1)
Stoich.:	A2B2C2D7E20F26 (1)
Weight, g/mol:	415.072573
ΔH_f, kcal/mol:	-159.23
Dipole, Da:	8.23
IP(EA), eV:	-8.91(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[5-[[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2I)C=C3C(=O)N(C(=O)S3)CC4=CC=C(C=C4)I)OC

DOS

IR

Vibrations