Geometry & MOs

Info

ID:	136996
PubChem CID:	52135532
Reduced:	SO2N7C17H23 (1)
Stoich.:	AB2C7D17E23 (1)
Weight, g/mol:	337.217441
ΔH_f, kcal/mol:	42.13
Dipole, Da:	11.49
IP(EA), eV:	-9.14(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[5-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethyl-dimethylazanium

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CCC2=NN=C(N2C(C)C)SCC(=O)NC3=NOC=C3

DOS

IR

Vibrations