Geometry & MOs

Info

ID:	54385
PubChem CID:	17137150
Reduced:	OSCl2N4H16C18 (1)
Stoich.:	ABC2D4E16F18 (1)
Weight, g/mol:	464.01678
ΔH_f, kcal/mol:	31.27
Dipole, Da:	3.3
IP(EA), eV:	-9.17(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations