Geometry & MOs

Info

ID:	41700
PubChem CID:	8146853
Reduced:	N2O6C21H26 (1)
Stoich.:	A2B6C21D26 (1)
Weight, g/mol:	383.190558
ΔH_f, kcal/mol:	-253.29
Dipole, Da:	4.89
IP(EA), eV:	-9.8(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl-ethyl-[[4-ethyl-3-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium

Drug info:

PubChemData

Smile

C[C@@H]1C[C@]2(CC(C1)(C)C)C(=O)N(C(=O)N2)CC(=O)OC3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations