Geometry & MOs

Info

ID:	416709
PubChem CID:	135090156
Reduced:	N3O3C16H21 (2)
Stoich.:	A3B3C16D21 (2)
Weight, g/mol:	307.13322
ΔH_f, kcal/mol:	-191.85
Dipole, Da:	8.72
IP(EA), eV:	-8.8(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[3-oxo-3-[(2-oxopiperidin-3-yl)amino]propyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)C2=CC=CC=C2)C)CC3=CC=CC=C3

DOS

IR

Vibrations