Geometry & MOs

Info

ID:

164151

PubChem CID:

74382100

Reduced:

SO4N5C33H37 (1)

Stoich.:

AB4C5D33E37 (1)

Weight, g/mol:

672.30939

ΔHf, kcal/mol:

-90.12

Dipole, Da:

5.69

IP(EA), eV:

 -8.49(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[[3-[[4-(4-methylpiperazin-1-yl)anilino]-phenylmethylidene]-2-oxo-1H-indol-5-yl]sulfonylamino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4)NC5=CC=C(C=C5)CN6CCCC6

DOS

IR

Vibrations