Geometry & MOs

Info

ID:

168352

PubChem CID:

74956604

Reduced:

NOH6C7 (4)

Stoich.:

ABC6D7 (4)

Weight, g/mol:

602.14244

ΔHf, kcal/mol:

0.68

Dipole, Da:

1.15

IP(EA), eV:

 -8.57(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-[2-[(4-chlorophenyl)sulfonylamino]acetyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC2=CC=CC=C12)C(=O)NNC=C(C3=CC=CC=C3)NNC(=O)C4=C(C5=CC=CC=C5O4)C

DOS

IR

Vibrations