Geometry & MOs

Info

ID:	148612
PubChem CID:	53788280
Reduced:	NPC4O4H6 (1)
Stoich.:	ABC4D4E6 (1)
Weight, g/mol:	617.28799
ΔH_f, kcal/mol:	-176.43
Dipole, Da:	7.86
IP(EA), eV:	-10.0(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-[[2-bromo-4-(5-decylpyridin-2-yl)phenoxy]methyl]-2-cyclohexyl-2-fluorohexanoic acid

Drug info:

PubChemData

Smile

CN1[C@@]2(P1(=O)OC2=O)CO

DOS

IR

Vibrations