Geometry & MOs

Info

ID:

310499

PubChem CID:

126580887

Reduced:

ClSO2F3N6H12C17 (1)

Stoich.:

ABC2D3E6F12G17 (1)

Weight, g/mol:

910.510532

ΔHf, kcal/mol:

-96.87

Dipole, Da:

3.08

IP(EA), eV:

 -9.68(-1.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[(2S,4S)-4-ethyl-2-[5-[4-[6-[2-[(2S,5S)-1-[2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-3H-benzimidazol-5-yl]-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=C(N=C(C=C1)N2C=C(C=N2)Cl)C3=CN4C=NC(=CC4=N3)C(F)(F)F

DOS

IR

Vibrations