Geometry & MOs

Info

ID:

443049

PubChem CID:

135257534

Reduced:

SN2O4F5H29C31 (1)

Stoich.:

AB2C4D5E29F31 (1)

Weight, g/mol:

832.260549

ΔHf, kcal/mol:

-334.15

Dipole, Da:

12.81

IP(EA), eV:

 -8.88(-1.02)

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)sulfonylpyrrolidine-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)C4CCN(C4)SC5=C(C(=C(C(=C5F)F)F)F)F

DOS

IR

Vibrations