Geometry & MOs

Info

ID:	36231
PubChem CID:	7982186
Reduced:	ClSO2N4C20H21 (1)
Stoich.:	ABC2D4E20F21 (1)
Weight, g/mol:	354.091725
ΔH_f, kcal/mol:	-10.38
Dipole, Da:	5.02
IP(EA), eV:	-8.46(-1.03)
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,N-diethylacetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)[C@@H](C)SC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations