Geometry & MOs

Info

ID:

181538

PubChem CID:

76758365

Reduced:

SO4N7C21H21 (1)

Stoich.:

AB4C7D21E21 (1)

Weight, g/mol:

679.348218

ΔHf, kcal/mol:

-26.25

Dipole, Da:

11.02

IP(EA), eV:

 -8.6(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[5-[4-[2-methyl-7-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1,3-benzoxazol-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

COCCNC(=O)C1=CC=C(S1)C2=NC3=C(C=NN3C(=C2)NC4CC4)C=C5C(=O)NC(=O)N5

DOS

IR

Vibrations