Geometry & MOs

Info

ID:	178800
PubChem CID:	76383746
Reduced:	F3N4O7C24H29 (1)
Stoich.:	A3B4C7D24E29 (1)
Weight, g/mol:	428.20597
ΔH_f, kcal/mol:	-423.29
Dipole, Da:	4.95
IP(EA), eV:	-9.94(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 2-[4-benzyl-3,6-dioxo-5-[(pyrrolidine-2-carbonylamino)methyl]piperazin-2-yl]acetate

Drug info:

PubChemData

Smile

C=CCOC(=O)CC1C(=O)N(C(C(=O)N1)CNC(=O)C2CCCN2)CC3=CC=CC=C3.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations