Geometry & MOs

Info

ID:	140116
PubChem CID:	52650138
Reduced:	S2O3N4H18C20 (1)
Stoich.:	A2B3C4D18E20 (1)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	-17.53
Dipole, Da:	3.63
IP(EA), eV:	-9.02(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CS4

DOS

IR

Vibrations