Geometry & MOs

Info

ID:	36252
PubChem CID:	7982488
Reduced:	ClSO2N4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	408.021452
ΔH_f, kcal/mol:	-1.46
Dipole, Da:	9.74
IP(EA), eV:	-8.74(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chlorophenyl)acetamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NC(=O)CSC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations