Geometry & MOs

Info

ID:	178009
PubChem CID:	76262150
Reduced:	ClSF2N2O5H17C21 (1)
Stoich.:	ABC2D2E5F17G21 (1)
Weight, g/mol:	481.257671
ΔH_f, kcal/mol:	-248.46
Dipole, Da:	3.44
IP(EA), eV:	-9.37(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-6-(3-methylphenyl)-2-oxopiperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NCCN2C(=O)C(=CC3=CC=C(C=C3)Cl)SC2=O)OC(F)F

DOS

IR

Vibrations