Geometry & MOs

Info

ID:

82283

PubChem CID:

49855845

Reduced:

ON2C13H13 (4)

Stoich.:

AB2C13D13 (4)

Weight, g/mol:

740.343467

ΔHf, kcal/mol:

-6.88

Dipole, Da:

2.43

IP(EA), eV:

 -8.61(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[6-[4-[2-[(2S)-1-[(methoxycarbonylamino)-phenylcarbamoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)NC(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)C(C9=CC=CC=C9)N1C2CCC1CC2

DOS

IR

Vibrations