Geometry & MOs

Info

ID:	184266
PubChem CID:	77137534
Reduced:	ClFO4N5C20H21 (1)
Stoich.:	ABC4D5E20F21 (1)
Weight, g/mol:	390.201553
ΔH_f, kcal/mol:	-124.77
Dipole, Da:	5.99
IP(EA), eV:	-8.36(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-pyrimidin-5-ylpyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(N=C3)CC4=CC=C(O4)Cl)F

DOS

IR

Vibrations