Geometry & MOs

Info

ID:

220148

PubChem CID:

85165297

Reduced:

OH12C16 (3)

Stoich.:

AB12C16 (3)

Weight, g/mol:

660.471352

ΔHf, kcal/mol:

27.91

Dipole, Da:

0.76

IP(EA), eV:

 -8.89(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 3-[3-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]oxytetradecanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C5C(=C6C(=C42)C7=CC=CC=C7C6(C8=CC=C(C=C8)C)O)C9=CC=CC=C9C5(C1=CC=C(C=C1)C)O)O

DOS

IR

Vibrations