Geometry & MOs

Info

ID:	253352
PubChem CID:	103117919
Reduced:	OSN4C13H20 (1)
Stoich.:	ABC4D13E20 (1)
Weight, g/mol:	304.135782
ΔH_f, kcal/mol:	-6.82
Dipole, Da:	8.78
IP(EA), eV:	-8.56(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-1-methylindazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC(C2CCCCC2)C(=S)N

DOS

IR

Vibrations