Geometry & MOs

Info

ID:	140107
PubChem CID:	52648686
Reduced:	N2O2C21H24 (1)
Stoich.:	A2B2C21D24 (1)
Weight, g/mol:	457.239913
ΔH_f, kcal/mol:	-53.62
Dipole, Da:	4.41
IP(EA), eV:	-8.59(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(O1)CC(C[C@H]2NC(=O)CC3=CNC4=CC=CC=C43)(C)C

DOS

IR

Vibrations