Geometry & MOs

Info

ID:	158818
PubChem CID:	56479402
Reduced:	SO4N5C23H27 (1)
Stoich.:	AB4C5D23E27 (1)
Weight, g/mol:	458.198777
ΔH_f, kcal/mol:	-69.66
Dipole, Da:	6.37
IP(EA), eV:	-9.33(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dimethylphenyl)sulfonyl-N-methyl-N-[2-[(4-methylpyridin-2-yl)amino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC(CN3C=NC=N3)C4=CC=CC=C4

DOS

IR

Vibrations