Geometry & MOs

Info

ID:

443103

PubChem CID:

135257711

Reduced:

SN2F5O5C31H31 (1)

Stoich.:

AB2C5D5E31F31 (1)

Weight, g/mol:

804.265634

ΔHf, kcal/mol:

-371.24

Dipole, Da:

3.74

IP(EA), eV:

 -9.48(-1.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 4-[(4-cyclohexylphenyl)methyl-[2-methyl-2-[(2,3,4,5,6-pentafluorophenyl)sulfinylamino]propanoyl]amino]-2-phenylmethoxybenzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)O)N(CC2=CC=C(C=C2)C3CCCCC3)C(=O)[C@@H](C)N(C)S(=O)(=O)C4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations