Geometry & MOs

Info

ID:	40459
PubChem CID:	8144165
Reduced:	SN5C23H28 (1)
Stoich.:	AB5C23D28 (1)
Weight, g/mol:	394.213067
ΔH_f, kcal/mol:	144.64
Dipole, Da:	5.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.858017
Charge, e:	1

Chem-info

IUPAC name:

butyl-[[3-(4-ethoxycarbonylphenyl)imino-2-oxoindol-1-yl]methyl]-methylazanium

Drug info:

PubChemData

Smile

C1CC1C2=NN(C(=S)N2CC3=CC=CC=C3)C[NH+]4CCN(CC4)C5=CC=CC=C5

DOS

IR

Vibrations