Geometry & MOs

Info

ID:

219795

PubChem CID:

85164904

Reduced:

ClSO2N4C34H35 (1)

Stoich.:

ABC2D4E34F35 (1)

Weight, g/mol:

599.272015

ΔHf, kcal/mol:

-6.65

Dipole, Da:

2.3

IP(EA), eV:

 -8.55(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-acetamido-3-[[1-[[4-amino-1-(3-methylbutylamino)-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]phenyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CN(CC1=CC2=CC=CC=C2C=C1)C(=O)C(CC3=CC=CC=C3)NC(=O)C4CCCN4C(=S)NCC5=CC=CC=C5Cl

DOS

IR

Vibrations