Geometry & MOs

Info

ID:	310076
PubChem CID:	126573782
Reduced:	FN3C20H20 (1)
Stoich.:	AB3C20D20 (1)
Weight, g/mol:	602.351986
ΔH_f, kcal/mol:	47.24
Dipole, Da:	2.4
IP(EA), eV:	-8.76(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-(2-azaspiro[4.6]undecan-2-yl)-5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-2,6-dimethylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC=C2F)C(=NC1(C)C)C3=C4C=CC=CN4N=C3)C

DOS

IR

Vibrations