Geometry & MOs

Info

ID:	425714
PubChem CID:	135127527
Reduced:	NC12H15 (2)
Stoich.:	AB12C15 (2)
Weight, g/mol:	553.153464
ΔH_f, kcal/mol:	35.15
Dipole, Da:	0.6
IP(EA), eV:	-7.66(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[4-[3-[[(1R)-1-(3,4-difluorophenyl)ethoxy]carbonylamino]-5-fluorothiophen-2-yl]phenyl]phenyl]pentanoic acid

Drug info:

PubChemData

Smile

C[C@H]1N(C=CN1C2=CC=CC=C2C)C3=CC=C(C=C3)[C@@H]4CCCC(C4)C

DOS

IR

Vibrations