Geometry & MOs

Info

ID:	243966
PubChem CID:	99303047
Reduced:	N3O4C26H39 (1)
Stoich.:	A3B4C26D39 (1)
Weight, g/mol:	434.223929
ΔH_f, kcal/mol:	-192.88
Dipole, Da:	7.72
IP(EA), eV:	-8.9(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[1-(3,4-dimethylphenyl)sulfonylcyclopentanecarbonyl]-N-propylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCN1[C@@H]([C@H](CCC1=O)C(=O)N2CCC[C@@H](C2)C(=O)NCCC)C3=CC=C(C=C3)OC

DOS

IR

Vibrations