Geometry & MOs

Info

ID:	157007
PubChem CID:	56405070
Reduced:	FO2N3C25H34 (1)
Stoich.:	AB2C3D25E34 (1)
Weight, g/mol:	459.20142
ΔH_f, kcal/mol:	-117.41
Dipole, Da:	4.58
IP(EA), eV:	-8.56(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)C3=C(N(C(=C3)C)C4=CC=CC=C4F)C

DOS

IR

Vibrations