Geometry & MOs

Info

ID:

186804

PubChem CID:

77487790

Reduced:

N7C12H21 (1)

Stoich.:

A7B12C21 (1)

Weight, g/mol:

644.27809

ΔHf, kcal/mol:

64.05

Dipole, Da:

6.18

IP(EA), eV:

 -8.4(0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[5-[[5-[(3-ethylphenyl)-methylsulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-4-methyl-3-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methyl]-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)N=C(C=C(N)N2CCN(CC2)C)N

DOS

IR

Vibrations