Geometry & MOs

Info

ID:

168354

PubChem CID:

74957005

Reduced:

ClFS2N4O5C28H30 (1)

Stoich.:

ABC2D4E5F28G30 (1)

Weight, g/mol:

574.137834

ΔHf, kcal/mol:

-192.42

Dipole, Da:

5.87

IP(EA), eV:

 -9.07(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3,3-dimethyl-1-oxo-1-[5-[2-(thiophen-3-ylsulfonylamino)acetyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]butan-2-yl]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)N1CC2CC1CN2C(=O)CNS(=O)(=O)C3=C(C=C(C=C3)F)Cl)NC(=O)C4=CC5=CC=CC=C5S4

DOS

IR

Vibrations