Geometry & MOs

Info

ID:

219299

PubChem CID:

85098600

Reduced:

SO2C24H36 (1)

Stoich.:

AB2C24D36 (1)

Weight, g/mol:

742.369013

ΔHf, kcal/mol:

-129.9

Dipole, Da:

2.65

IP(EA), eV:

 -8.79(0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl)amino]-3-[2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-methylamino]hexanoylamino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)O)CCCCCCS

DOS

IR

Vibrations