Geometry & MOs

Info

ID:	243970
PubChem CID:	99303055
Reduced:	SN3O6C22H31 (1)
Stoich.:	AB3C6D22E31 (1)
Weight, g/mol:	465.193357
ΔH_f, kcal/mol:	-238.18
Dipole, Da:	5.95
IP(EA), eV:	-9.13(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[(2R)-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)[C@H]2CCCN2S(=O)(=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations