Geometry & MOs

Info

ID:	140888
PubChem CID:	52777082
Reduced:	O2N3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	459.139882
ΔH_f, kcal/mol:	-93.92
Dipole, Da:	5.78
IP(EA), eV:	-8.34(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethyl-3-sulfamoylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)[C@H](C)CNC(=O)[C@@H]2CC(=O)N(C2)C3=CC=C(C=C3)C

DOS

IR

Vibrations