Geometry & MOs

Info

ID:	31319
PubChem CID:	855569
Reduced:	SO2N4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	334.146347
ΔH_f, kcal/mol:	-39.24
Dipole, Da:	8.5
IP(EA), eV:	-9.0(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)C)C(C)C

DOS

IR

Vibrations