Geometry & MOs

Info

ID:	155292
PubChem CID:	56352878
Reduced:	O2S2N5C19H27 (1)
Stoich.:	A2B2C5D19E27 (1)
Weight, g/mol:	437.065003
ΔH_f, kcal/mol:	-38.07
Dipole, Da:	5.47
IP(EA), eV:	-8.54(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethyl-3-sulfamoylphenyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCC(CC1)NC(=O)C(C)N2C(=NNC2=S)C3=CC=CS3

DOS

IR

Vibrations