Geometry & MOs

Info

ID:	157290
PubChem CID:	56422509
Reduced:	N4O5C21H26 (1)
Stoich.:	A4B5C21D26 (1)
Weight, g/mol:	448.19444
ΔH_f, kcal/mol:	-132.99
Dipole, Da:	9.88
IP(EA), eV:	-8.22(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-fluoro-2-piperidin-1-ylphenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=NN=C(C=C2)N3CCCC3)OC

DOS

IR

Vibrations