Geometry & MOs

Info

ID:

299862

PubChem CID:

117726962

Reduced:

ON4H32C49 (1)

Stoich.:

AB4C32D49 (1)

Weight, g/mol:

695.19546

ΔHf, kcal/mol:

201.4

Dipole, Da:

1.98

IP(EA), eV:

 -7.92(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,5S)-5-[5-(4-bromophenyl)-1H-imidazol-2-yl]-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidin-3-yl] 6,8-dihydro-[1,3]dioxolo[4,5-e]isoindole-7-carboxylate

Drug info:

PubChemData

Smile

CC1(C2=C(C3=C1C=CC(=C3)N4C5=C(C=C(C=C5)C6=CC7=C(C=C6)N(C8=CC=CC=C87)C9=CC1=C(C=C9)OC3=C1N=CC=C3)C1=CC=CC=C14)N=CC=C2)C

DOS

IR

Vibrations