Geometry & MOs

Info

ID:

443046

PubChem CID:

135257531

Reduced:

ON3C29H32 (2)

Stoich.:

AB3C29D32 (2)

Weight, g/mol:

834.276199

ΔHf, kcal/mol:

71.21

Dipole, Da:

5.09

IP(EA), eV:

 -8.2(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 4-[(4-cyclohexylphenyl)methyl-[(2S)-2-[methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]butanoyl]amino]-2-phenylmethoxybenzoate

Drug info:

PubChemData

Smile

CCCN1CCNC2C1C(CNC2)C3=CC(=C(C=C3C)C4=CC=C(C=C4)C5=CC6=C(C=C5)OC7=C(O6)C=C(C=C7)C8=CC=C(C=C8)C9=C(C=C(C(=C9)C)C1CN(CC2=NCCNC12)C)C)C

DOS

IR

Vibrations