Geometry & MOs

Info

ID:	157005
PubChem CID:	56404946
Reduced:	SO2N4C27H34 (1)
Stoich.:	AB2C4D27E34 (1)
Weight, g/mol:	446.198777
ΔH_f, kcal/mol:	-22.23
Dipole, Da:	6.51
IP(EA), eV:	-8.78(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)C3=CC=C(C=C3)SCC4=CN5C=CC=CC5=N4

DOS

IR

Vibrations