Geometry & MOs

Info

ID:	86209
PubChem CID:	49882895
Reduced:	S2O3N4C18H26 (1)
Stoich.:	A2B3C4D18E26 (1)
Weight, g/mol:	306.115047
ΔH_f, kcal/mol:	-76.64
Dipole, Da:	3.86
IP(EA), eV:	-9.24(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanamine

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SC(C)C(=O)N(CC)CC)CS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations