Geometry & MOs

Info

ID:

329412

PubChem CID:

126736434

Reduced:

PO7C73H75 (1)

Stoich.:

AB7C73D75 (1)

Weight, g/mol:

365.183838

ΔHf, kcal/mol:

-156.1

Dipole, Da:

5.86

IP(EA), eV:

 -8.23(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]oxybutanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC2=CC(=C(C(=C2)C)O)C)C)C(C)(C)C3=CC(=C(C(=C3)C)OC4=CC(=C(C(=C4)C)OC(C)(C)CC5=CC=C(C=C5)COC6=C(C=C(C=C6)OCC7=CC=C(C=C7)C=C)P(=O)(C8=CC=CC=C8)C9=CC=CC=C9)C)C

DOS

IR

Vibrations