Geometry & MOs

Info

ID:

218946

PubChem CID:

85090226

Reduced:

PO4C33H43 (1)

Stoich.:

AB4C33D43 (1)

Weight, g/mol:

534.341735

ΔHf, kcal/mol:

-163.07

Dipole, Da:

6.71

IP(EA), eV:

 -8.99(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[[1-[[1-(ethylamino)-2-hydroxy-1-oxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C1CCC(C(C1COCC2=CC=CC=C2)(C(OC)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4)O)(C)C

DOS

IR

Vibrations