Geometry & MOs

Info

ID:	233689
PubChem CID:	92092874
Reduced:	SN3O3H19C20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	402.169191
ΔH_f, kcal/mol:	-34.12
Dipole, Da:	3.67
IP(EA), eV:	-10.07(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-5-oxo-N-[(2-pyridin-4-ylpyridin-3-yl)methyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NCC2=C(N=CC=C2)C3=CC=NC=C3

DOS

IR

Vibrations