Geometry & MOs

Info

ID:

45072

PubChem CID:

10507763

Reduced:

N4O5C35H42 (1)

Stoich.:

A4B5C35D42 (1)

Weight, g/mol:

599.272015

ΔHf, kcal/mol:

-100.96

Dipole, Da:

3.64

IP(EA), eV:

 -7.84(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(2S)-2-acetamido-3-[[(2S,3S)-1-[[(2S)-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

CCC1=C2C=C3C(C(C(=N3)C=C4C(=C5CCC(=C5N4)C6=NC(=C(C(=C1C)N2)C=O)[C@H]([C@@H]6CCC(=O)OC)C)C)(CC)O)(C)O

DOS

IR

Vibrations