Geometry & MOs

Info

ID:	171189
PubChem CID:	75341546
Reduced:	SN2O4H22C23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	496.166808
ΔH_f, kcal/mol:	-99.21
Dipole, Da:	2.82
IP(EA), eV:	-9.12(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 4-[5-[[2,4-dioxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CN2C(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)SC2=O

DOS

IR

Vibrations