Geometry & MOs

Info

ID:

214580

PubChem CID:

85083228

Reduced:

OH12C13 (3)

Stoich.:

AB12C13 (3)

Weight, g/mol:

552.253909

ΔHf, kcal/mol:

4.57

Dipole, Da:

4.95

IP(EA), eV:

 -9.14(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[[3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]disulfanyl]propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC2=CC(=CC=C2)CCC3C(C(=O)O3)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations