Geometry & MOs

Info

ID:	244036
PubChem CID:	99309428
Reduced:	N4O5C25H34 (1)
Stoich.:	A4B5C25D34 (1)
Weight, g/mol:	448.178041
ΔH_f, kcal/mol:	-219.31
Dipole, Da:	5.03
IP(EA), eV:	-8.98(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CN1C(=O)N(C(=O)C12CCCCC2)CC(=O)NC3CCN(CC3)C(=O)CC4=CC(=CC=C4)OC

DOS

IR

Vibrations