Geometry & MOs

Info

ID:

391145

PubChem CID:

135003083

Reduced:

FNPSO9C26H33 (1)

Stoich.:

ABCDE9F26G33 (1)

Weight, g/mol:

700.31956

ΔHf, kcal/mol:

-477.8

Dipole, Da:

3.18

IP(EA), eV:

 -8.97(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(E)-2-[(3R)-3-[(1R,3aS)-1-[(3aS,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-2,3a,4,8b-tetrahydro-1H-pyrrolo[2,3-b]indol-5-yl]-1-methyl-2-oxoindol-3-yl]ethenyl]-N,4-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCOP(=O)(C(C1=CC=C(C=C1)F)C(=O)OC(C(=O)C2=CC=CS2)C(=O)NC(C)C(=O)OC(C)(C)C)OCC

DOS

IR

Vibrations