Geometry & MOs

Info

ID:	244231
PubChem CID:	99319515
Reduced:	BrN2O3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	465.229742
ΔH_f, kcal/mol:	-92.66
Dipole, Da:	3.01
IP(EA), eV:	-9.12(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1-[4-methoxy-3-[[(1R,2S)-2-methylcyclohexyl]sulfamoyl]benzoyl]piperidin-3-yl]propanamide

Drug info:

PubChemData

Smile

CCC(=O)N[C@@H]1CCCN(C1)C(=O)C2=CC=CC=C2OCC3=CC(=CC=C3)Br

DOS

IR

Vibrations