Geometry & MOs

Info

ID:	54386
PubChem CID:	17137154
Reduced:	IOSN4H17C18 (1)
Stoich.:	ABCD4E17F18 (1)
Weight, g/mol:	262.088832
ΔH_f, kcal/mol:	66.99
Dipole, Da:	7.42
IP(EA), eV:	-8.91(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)I

DOS

IR

Vibrations