Geometry & MOs

Info

ID:

443101

PubChem CID:

135257696

Reduced:

NO2C19H20 (2)

Stoich.:

AB2C19D20 (2)

Weight, g/mol:

728.234334

ΔHf, kcal/mol:

-72.25

Dipole, Da:

2.47

IP(EA), eV:

 -9.18(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 4-[(4-cyclohexylphenyl)methyl-[(2R)-2-[methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanoyl]amino]-3-methylbenzoate

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC=C(C=C2)CN(C3=CC(=C(C=C3)C(=O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C(=O)[C@H]6CCN6

DOS

IR

Vibrations