Geometry & MOs

Info

ID:	136990
PubChem CID:	52134965
Reduced:	OSN6C18H26 (1)
Stoich.:	ABC6D18E26 (1)
Weight, g/mol:	308.14193
ΔH_f, kcal/mol:	47.51
Dipole, Da:	7.14
IP(EA), eV:	-8.75(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-ethyl-5-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC2=NC=C(O2)C(C)(C)C)CCC3=CN(N=C3)C

DOS

IR

Vibrations