Geometry & MOs

Info

ID:

443086

PubChem CID:

135257658

Reduced:

N2F5O5H29C32 (1)

Stoich.:

A2B5C5D29E32 (1)

Weight, g/mol:

782.314299

ΔHf, kcal/mol:

-377.88

Dipole, Da:

3.1

IP(EA), eV:

 -9.53(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 4-[(4-cyclohexylphenyl)methyl-[(2R)-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrrolidine-2-carbonyl]amino]-2-phenylmethoxybenzoate

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC=C(C=C2)CN(C3=CC(=C(C=C3)C(=O)O)O)C(=O)[C@H]4CCCN4C(=O)C5=C(C(=C(C(=C5F)F)F)F)F

DOS

IR

Vibrations