Geometry & MOs

Info

ID:	314887
PubChem CID:	126623894
Reduced:	ClO3F4N5H26C33 (1)
Stoich.:	AB3C4D5E26F33 (1)
Weight, g/mol:	454.138086
ΔH_f, kcal/mol:	-222.03
Dipole, Da:	6.38
IP(EA), eV:	-8.9(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[4-(1-adamantylmethoxy)-5-chloro-2-fluorophenyl]sulfinylcyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(C=C3C(=O)C)CC(=O)NC(CC(F)(F)F)C(=O)NC4=CC=CC(=C4F)C5=CC=CC=C5Cl

DOS

IR

Vibrations