Geometry & MOs

Info

ID:	194350
PubChem CID:	78521145
Reduced:	NO5C25H29 (1)
Stoich.:	AB5C25D29 (1)
Weight, g/mol:	326.166414
ΔH_f, kcal/mol:	-149.56
Dipole, Da:	2.2
IP(EA), eV:	-8.44(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]-N-pentan-3-ylacetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC(=O)OCC(=O)N(C2CCCCC2)C3=CC=CC=C3)OC

DOS

IR

Vibrations