Geometry & MOs

Info

ID:	23047
PubChem CID:	601342
Reduced:	N2O7C36H40 (1)
Stoich.:	A2B7C36D40 (1)
Weight, g/mol:	612.283552
ΔH_f, kcal/mol:	-271.63
Dipole, Da:	1.9
IP(EA), eV:	-8.78(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-phenylmethoxybutanoyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1CCCN(C1)C(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

DOS

IR

Vibrations