Geometry & MOs

Info

ID:

82595

PubChem CID:

49856224

Reduced:

ON2C10H10 (4)

Stoich.:

AB2C10D10 (4)

Weight, g/mol:

712.312166

ΔHf, kcal/mol:

-20.83

Dipole, Da:

5.58

IP(EA), eV:

 -8.75(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-(N-[(2S)-2-[6-[4-[2-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carbonyl]anilino)carbamate

Drug info:

PubChemData

Smile

CCC(=O)N1CCC[C@H]1C2=NC3=C(N2)C=C(C=C3)C4=CC=C(C=C4)C5=CC6=C(C=C5)N=C(N6)[C@@H]7CCCN7C(=O)N(C8=CC=CC=C8)NC(=O)OC

DOS

IR

Vibrations