Geometry & MOs

Info

ID:	122315
PubChem CID:	50802102
Reduced:	ClO2N4H19C21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	352.076075
ΔH_f, kcal/mol:	-6.12
Dipole, Da:	4.78
IP(EA), eV:	-8.58(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCC2=NC3=C(N21)C=CC(=C3)C(=O)NCCC4=CNC5=C4C=C(C=C5)Cl

DOS

IR

Vibrations