Geometry & MOs

Info

ID:	244698
PubChem CID:	99376437
Reduced:	ON3C9H10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	422.231791
ΔH_f, kcal/mol:	11.4
Dipole, Da:	8.49
IP(EA), eV:	-9.43(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxo-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C(=O)NCCC(=O)NCC3=CC=NC=C3)N=N1

DOS

IR

Vibrations