Geometry & MOs

Info

ID:

215165

PubChem CID:

85084295

Reduced:

NO8C45H51 (1)

Stoich.:

AB8C45D51 (1)

Weight, g/mol:

733.387306

ΔHf, kcal/mol:

-262.29

Dipole, Da:

8.68

IP(EA), eV:

 -8.8(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N-[4-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylsulfonylanilino)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CCOC(=O)CCCCC=C(C1=CC=C(C=C1)OCC2=CC(=CC=C2)C3OCC(C(O3)C4=CC=CC=C4O)CC=CCCC(=O)OCC)C5=CN=CC=C5

DOS

IR

Vibrations