Geometry & MOs

Info

ID:	132188
PubChem CID:	51318051
Reduced:	FOSN4H17C18 (1)
Stoich.:	ABCD4E17F18 (1)
Weight, g/mol:	281.131031
ΔH_f, kcal/mol:	1.33
Dipole, Da:	7.83
IP(EA), eV:	-8.92(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyano-3-methylbutan-2-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCC1=NC(=NN1)SC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations