Geometry & MOs

Info

ID:

164526

PubChem CID:

74412507

Reduced:

NO5C22H28 (1)

Stoich.:

AB5C22D28 (1)

Weight, g/mol:

796.32307

ΔHf, kcal/mol:

-136.18

Dipole, Da:

5.23

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.525685

Charge, e:

 0

Chem-info

IUPAC name:

3-[[3-(2-bromo-1H-indol-3-yl)-2-[2-(2,4-dimethylpent-4-enoylamino)propanoyl-methylamino]propanoyl]amino]-3-[4-tri(propan-2-yl)silyloxyphenyl]propanoic acid

Drug info:

PubChemData

Smile

C[N+]1=CC=CC=C1C=CC2=CC3=C(C=C2)OCCOCCOCCOCCO3

DOS

IR

Vibrations