Geometry & MOs

Info

ID:

214528

PubChem CID:

85083156

Reduced:

NO8C31H31 (1)

Stoich.:

AB8C31D31 (1)

Weight, g/mol:

545.284949

ΔHf, kcal/mol:

-295.16

Dipole, Da:

5.19

IP(EA), eV:

 -9.0(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[1-[[1-[[1-(hydroxyamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC(C(=O)OCC1=CC=C(C=C1)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations