Geometry & MOs

Info

ID:	243861
PubChem CID:	99289472
Reduced:	SN2O4C26H28 (1)
Stoich.:	AB2C4D26E28 (1)
Weight, g/mol:	428.209993
ΔH_f, kcal/mol:	-104.45
Dipole, Da:	6.25
IP(EA), eV:	-9.0(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]-(4-naphthalen-1-ylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCC(CC2)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations