Geometry & MOs

Info

ID:	54821
PubChem CID:	17389346
Reduced:	SO2N6H26C27 (1)
Stoich.:	AB2C6D26E27 (1)
Weight, g/mol:	518.01378
ΔH_f, kcal/mol:	98.78
Dipole, Da:	5.02
IP(EA), eV:	-8.57(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide

Drug info:

PubChemData

Smile

C=CCC1=CC=C/C(=C/NNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC4=CC=CC=C4)/C1=O

DOS

IR

Vibrations