Geometry & MOs

Info

ID:

164173

PubChem CID:

74382174

Reduced:

SN4O4C31H34 (1)

Stoich.:

AB4C4D31E34 (1)

Weight, g/mol:

556.214427

ΔHf, kcal/mol:

-83.18

Dipole, Da:

6.68

IP(EA), eV:

 -8.43(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-3-[[4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)anilino]-phenylmethylidene]-2-oxo-1H-indole-5-sulfonamide

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CC=C(C=C2)NC(=C3C4=C(C=CC(=C4)S(=O)(=O)NC5CCOCC5)NC3=O)C6=CC=CC=C6

DOS

IR

Vibrations