Geometry & MOs

Info

ID:	219573
PubChem CID:	85149261
Reduced:	NO10C30H43 (1)
Stoich.:	AB10C30D43 (1)
Weight, g/mol:	578.25292
ΔH_f, kcal/mol:	-415.89
Dipole, Da:	3.58
IP(EA), eV:	-8.14(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[4-[3-[2-oxo-2-[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]ethoxy]phenyl]phenyl]ethylideneamino]oxyacetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1O)C(C)C)OCCN(C)CC2=C(C(=C(C(=C2C)OC3C(C(C(C(O3)C(=O)O)O)O)O)C)C)OC

DOS

IR

Vibrations