Geometry & MOs

Info

ID:	31198
PubChem CID:	855133
Reduced:	OSN4C16H20 (1)
Stoich.:	ABC4D16E20 (1)
Weight, g/mol:	332.130697
ΔH_f, kcal/mol:	32.27
Dipole, Da:	6.78
IP(EA), eV:	-8.78(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C)C3CC3

DOS

IR

Vibrations