Geometry & MOs

Info

ID:

443124

PubChem CID:

135257777

Reduced:

N2O3C20H23 (2)

Stoich.:

A2B3C20D23 (2)

Weight, g/mol:

798.295043

ΔHf, kcal/mol:

-173.92

Dipole, Da:

3.4

IP(EA), eV:

 -9.54(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 4-[(4-cyclohexylphenyl)methyl-[2-[propyl-(2,3,5-trifluorophenyl)sulfonylamino]acetyl]amino]-2-phenylmethoxybenzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)CC(=O)N(CC1=CN=C(C=N1)C2CCCCC2)C3=CC(=C(C=C3)C(=O)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations