Geometry & MOs

Info

ID:	181254
PubChem CID:	76722812
Reduced:	FO2N5C20H20 (1)
Stoich.:	AB2C5D20E20 (1)
Weight, g/mol:	410.25292
ΔH_f, kcal/mol:	-39.36
Dipole, Da:	3.12
IP(EA), eV:	-8.54(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(tert-butylcarbamoyl)-1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C(=O)C=C(N=C1N2CCOC(C2)C3=CC(=CC=C3)N)C4=C(C=NC=C4)F

DOS

IR

Vibrations