Geometry & MOs

Info

ID:

144634

PubChem CID:

53390389

Reduced:

O2N7C28H29 (1)

Stoich.:

A2B7C28D29 (1)

Weight, g/mol:

846.388473

ΔHf, kcal/mol:

34.97

Dipole, Da:

2.69

IP(EA), eV:

 -8.31(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[(2S)-2-[7-[2-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-1H-imidazol-5-yl]-1-benzofuran-6-yl]-3H-benzo[e]benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C2=CN=C(C=C2)NC3=CC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C(=CN6)CCO

DOS

IR

Vibrations