Geometry & MOs

Info

ID:	68382
PubChem CID:	46508306
Reduced:	SN2O5C17H30 (1)
Stoich.:	AB2C5D17E30 (1)
Weight, g/mol:	352.135782
ΔH_f, kcal/mol:	-258.38
Dipole, Da:	4.98
IP(EA), eV:	-9.81(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCCCC1)OC(=O)C2CCN(CC2)S(=O)(=O)C

DOS

IR

Vibrations