Geometry & MOs

Info

ID:

82911

PubChem CID:

49856784

Reduced:

ON2H10C11 (4)

Stoich.:

AB2C10D11 (4)

Weight, g/mol:

758.332902

ΔHf, kcal/mol:

12.97

Dipole, Da:

3.61

IP(EA), eV:

 -8.62(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)NN(C1=CC=CC=C1)C(=O)N2CCC[C@H]2C3=NC4=C(N3)C=C(C=C4)C5=CC=C(C=C5)C6=CC7=C(C=C6)N=C(N7)[C@@H]8CCCN8C(=O)C9=CC=CC=C9

DOS

IR

Vibrations