Geometry & MOs

Info

ID:	349783
PubChem CID:	127276175
Reduced:	O3N4C18H26 (1)
Stoich.:	A3B4C18D26 (1)
Weight, g/mol:	298.135114
ΔH_f, kcal/mol:	-110.33
Dipole, Da:	3.99
IP(EA), eV:	-8.76(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-3-yl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone

Drug info:

PubChemData

Smile

C1CC(COC1)C(=O)NCCC(=O)N2CCN(CC2)C3=CC=CC=N3

DOS

IR

Vibrations