Geometry & MOs

Info

ID:

147170

PubChem CID:

53786823

Reduced:

FO5C26H43 (1)

Stoich.:

AB5C26D43 (1)

Weight, g/mol:

531.269299

ΔHf, kcal/mol:

-333.54

Dipole, Da:

4.44

IP(EA), eV:

 -9.86(0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-3-[[2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCCC[C@H](CCC[C@H]1[C@@H](CC(=O)[C@@H]1CC=CCCC(C(=O)O)OC2CCCCO2)C)F

DOS

IR

Vibrations