Geometry & MOs

Info

ID:	86208
PubChem CID:	49882840
Reduced:	S2N4O4C19H24 (1)
Stoich.:	A2B4C4D19E24 (1)
Weight, g/mol:	410.144633
ΔH_f, kcal/mol:	-82.06
Dipole, Da:	3.4
IP(EA), eV:	-9.12(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCOCC1)SC2=NN=C(N2CC=C)CS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations