Geometry & MOs

Info

ID:	232519
PubChem CID:	87576353
Reduced:	PO7C20H43 (1)
Stoich.:	AB7C20D43 (1)
Weight, g/mol:	519.054177
ΔH_f, kcal/mol:	-457.76
Dipole, Da:	3.92
IP(EA), eV:	-10.11(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,4R)-4-[2-chloro-4-(2,2,2-trifluoroethoxy)phenyl]sulfonyl-2-(3,3-difluoropyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCC(C(OCCCC)(OCCCC)OP(=O)(O)O)OCCCC

DOS

IR

Vibrations