Geometry & MOs

Info

ID:

311943

PubChem CID:

126599424

Reduced:

O3N7C28H35 (1)

Stoich.:

A3B7C28D35 (1)

Weight, g/mol:

506.264154

ΔHf, kcal/mol:

-45.96

Dipole, Da:

4.15

IP(EA), eV:

 -8.61(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S,3R)-1-[(2S)-2-[5-[(E)-2-[4-[(E)-2-(4,5-dihydro-1H-imidazol-5-yl)ethenyl]phenyl]ethenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCN(CC1=NC=C(N1)C2=NC=C(O2)C3=CC=C(C=C3)C4=CN=C(N4)[C@@H]5CCCN5)C(=O)OC(C)(C)C

DOS

IR

Vibrations