Geometry & MOs

Info

ID:	188700
PubChem CID:	77757370
Reduced:	FN2O2C9H9 (2)
Stoich.:	AB2C2D9E9 (2)
Weight, g/mol:	539.299536
ΔH_f, kcal/mol:	-223.28
Dipole, Da:	6.21
IP(EA), eV:	-9.51(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-(4-phenylmethoxyphenyl)hexan-2-yl] piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C(=C2)F)C3=CC4CNC(=O)N4C3)F

DOS

IR

Vibrations