Geometry & MOs

Info

ID:	49746
PubChem CID:	11533719
Reduced:	F3O3N4C27H35 (1)
Stoich.:	A3B3C4D27E35 (1)
Weight, g/mol:	520.248584
ΔH_f, kcal/mol:	-197.13
Dipole, Da:	5.12
IP(EA), eV:	-7.97(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(2-pyridin-3-ylethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCCCC/C(=N\OCCN)/C2=CC=C(C=C2)C(F)(F)F)C3=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations