Geometry & MOs

Info

ID:

180290

PubChem CID:

76608904

Reduced:

NSF4O4C27H27 (1)

Stoich.:

ABC4D4E27F27 (1)

Weight, g/mol:

775.351589

ΔHf, kcal/mol:

-301.27

Dipole, Da:

5.43

IP(EA), eV:

 -9.47(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-N-[1-[[1-[1-(4-aminophenyl)ethylamino]-1-oxopropan-2-yl]amino]-3-phenylpropan-2-yl]-5-[benzyl(methylsulfonyl)amino]-1-N-(1-pyridin-3-ylethyl)benzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CC1CC2C(CCC3=C2C=CC(=C3F)[N+]#[C-])C4C1C(CC4)(CC5=CC=C(C=C5)OS(=O)(=O)C(F)(F)F)O

DOS

IR

Vibrations