Geometry & MOs

Info

ID:

322588

PubChem CID:

126670572

Reduced:

BrN3O3C17H24 (1)

Stoich.:

AB3C3D17E24 (1)

Weight, g/mol:

751.384603

ΔHf, kcal/mol:

-137.93

Dipole, Da:

3.62

IP(EA), eV:

 -9.26(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[3-methyl-1-oxo-1-[2-[N'-[(E)-4-[2-phenyl-4-[2-[(2S)-1-[(E)-2-phenylbut-2-enoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]but-1-en-3-ynyl]carbamimidoyl]pyrrolidin-1-yl]butan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@@H]1CN([C@@H]([C@@H]1C)C(=O)NC2=NC(=CC=C2)Br)C(=O)OC(C)(C)C

DOS

IR

Vibrations