Geometry & MOs

Info

ID:

443088

PubChem CID:

135257660

Reduced:

N2O4F5H31C32 (1)

Stoich.:

A2B4C5D31E32 (1)

Weight, g/mol:

796.293563

ΔHf, kcal/mol:

-340.31

Dipole, Da:

3.66

IP(EA), eV:

 -9.27(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 4-[(4-cyclohexylphenyl)methyl-[(2R)-1-(2,3,4,5,6-pentafluorobenzoyl)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]4CCCN4CC5=C(C(=C(C(=C5F)F)F)F)F

DOS

IR

Vibrations