Geometry & MOs

Info

ID:	349085
PubChem CID:	127274811
Reduced:	ON2C17H28 (1)
Stoich.:	AB2C17D28 (1)
Weight, g/mol:	349.112999
ΔH_f, kcal/mol:	-70.93
Dipole, Da:	3.92
IP(EA), eV:	-9.57(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butanoyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CC(CC(C1)(C)C)CC(=O)N2CCC(CC2)C#N

DOS

IR

Vibrations