Geometry & MOs

Info

ID:

190645

PubChem CID:

78036068

Reduced:

O2N3C20H27 (1)

Stoich.:

A2B3C20D27 (1)

Weight, g/mol:

790.360259

ΔHf, kcal/mol:

-39.62

Dipole, Da:

3.01

IP(EA), eV:

 -8.63(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[3-[4-fluoro-6-[2-[2-[2-[2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]ethynyl]-1H-benzimidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(N1C(C)C3=CC=CC=C3)C(CCC2)CC(=O)ON

DOS

IR

Vibrations