Geometry & MOs

Info

ID:	243968
PubChem CID:	99303052
Reduced:	SO3N4C24H32 (1)
Stoich.:	AB3C4D24E32 (1)
Weight, g/mol:	465.193357
ΔH_f, kcal/mol:	-114.24
Dipole, Da:	7.0
IP(EA), eV:	-9.14(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carbonyl]-N-propylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)[C@H]1CCCN(C1)C(=O)CCC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C

DOS

IR

Vibrations