Geometry & MOs

Info

ID:

190903

PubChem CID:

78072954

Reduced:

N3O5C21H24 (2)

Stoich.:

A3B5C21D24 (2)

Weight, g/mol:

736.262355

ΔHf, kcal/mol:

-390.16

Dipole, Da:

9.41

IP(EA), eV:

 -8.71(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-acetamido-4-[[1-[[1-[[2-[[3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CNC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CCC(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C5CCCC5C(=O)O

DOS

IR

Vibrations