Geometry & MOs

Info

ID:	29960
PubChem CID:	838553
Reduced:	OSN4C18H24 (1)
Stoich.:	ABC4D18E24 (1)
Weight, g/mol:	345.021787
ΔH_f, kcal/mol:	-0.57
Dipole, Da:	5.51
IP(EA), eV:	-8.96(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC=CC=C3

DOS

IR

Vibrations