Geometry & MOs

Info

ID:

187152

PubChem CID:

77536668

Reduced:

O2N4C27H38 (1)

Stoich.:

A2B4C27D38 (1)

Weight, g/mol:

670.318892

ΔHf, kcal/mol:

-97.12

Dipole, Da:

6.11

IP(EA), eV:

 -9.07(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(ethylsulfonylamino)-3-N-[3-hydroxy-4-[methyl(1-phenylethyl)amino]-1-phenylbutan-2-yl]-1-N-[1-(4-methylphenyl)ethyl]benzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2CC(=O)NCCC4=NC(=CC=C4)N)CCC5C3(C=CC(=O)N5)C

DOS

IR

Vibrations