Geometry & MOs

Info

ID:

427155

PubChem CID:

135155745

Reduced:

PN5O11C14H20 (1)

Stoich.:

AB5C11D14E20 (1)

Weight, g/mol:

479.242021

ΔHf, kcal/mol:

-464.42

Dipole, Da:

1.42

IP(EA), eV:

 -8.69(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[[(4S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]benzoate

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)C3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N.C(CC(=O)O)C(=O)O

DOS

IR

Vibrations