Geometry & MOs

Info

ID:	245235
PubChem CID:	99437995
Reduced:	FO3N6C22H29 (1)
Stoich.:	AB3C6D22E29 (1)
Weight, g/mol:	444.228517
ΔH_f, kcal/mol:	-126.43
Dipole, Da:	5.89
IP(EA), eV:	-9.03(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-[(3S)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(C)CC(=O)N1CCC[C@@H](C1)CNC(=O)NC2=CC(=CC=C2)F)N3C=CC=N3

DOS

IR

Vibrations