Geometry & MOs

Info

ID:

189960

PubChem CID:

77932801

Reduced:

SO3N5C17H33 (1)

Stoich.:

AB3C5D17E33 (1)

Weight, g/mol:

840.338381

ΔHf, kcal/mol:

-133.87

Dipole, Da:

3.23

IP(EA), eV:

 -8.81(0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[3-[6-[4-[2-[2-[2-(1,3-dioxetan-2-ylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxo-1-phenylethyl]carbamic acid

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)CCS(=O)(=O)N2CCNC(C2)CN3CCCC3

DOS

IR

Vibrations