Geometry & MOs

Info

ID:	253350
PubChem CID:	103117908
Reduced:	OSN4C13H20 (1)
Stoich.:	ABC4D13E20 (1)
Weight, g/mol:	304.135782
ΔH_f, kcal/mol:	-4.85
Dipole, Da:	2.29
IP(EA), eV:	-8.71(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-carbamothioylpentan-3-yl)-1-methylindazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC2(CCCCCC2)C(=S)N

DOS

IR

Vibrations