Geometry & MOs

Info

ID:

181723

PubChem CID:

76782421

Reduced:

SN2O3C15H18 (1)

Stoich.:

AB2C3D15E18 (1)

Weight, g/mol:

854.360544

ΔHf, kcal/mol:

-84.26

Dipole, Da:

3.71

IP(EA), eV:

 -8.97(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[2-[5-[6-[2-[1-[2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-1H-thieno[2,3-f]benzimidazol-6-yl]-3a,7a-dihydro-1-benzofuran-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CN(C)CCCOC1=CC=CC=C1C=C2C(=O)NC(=O)S2

DOS

IR

Vibrations