Geometry & MOs

Info

ID:	155545
PubChem CID:	56365881
Reduced:	SN2O2C22H26 (1)
Stoich.:	AB2C2D22E26 (1)
Weight, g/mol:	471.219178
ΔH_f, kcal/mol:	-26.06
Dipole, Da:	2.21
IP(EA), eV:	-9.08(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-2-(2-methyl-N-methylsulfonylanilino)-N-propylacetamide

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)/C=C/C3=CSC=C3

DOS

IR

Vibrations