Geometry & MOs

Info

ID:

190902

PubChem CID:

78072953

Reduced:

ClO2N6C24H25 (1)

Stoich.:

AB2C6D24E25 (1)

Weight, g/mol:

796.343192

ΔHf, kcal/mol:

-15.59

Dipole, Da:

5.83

IP(EA), eV:

 -8.89(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-[[1-[[4-carboxy-1-[[3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)C(=O)N)C3=C(C1=O)N(C(=N3)N4CCCC(C4)N)CC5=CC=CC=C5Cl

DOS

IR

Vibrations