Geometry & MOs

Info

ID:	157042
PubChem CID:	56413049
Reduced:	F2N3O3C23H33 (1)
Stoich.:	A2B3C3D23E33 (1)
Weight, g/mol:	442.240248
ΔH_f, kcal/mol:	-231.17
Dipole, Da:	5.65
IP(EA), eV:	-9.07(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)CCCNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations