Geometry & MOs

Info

ID:	272008
PubChem CID:	103716524
Reduced:	OSN4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	316.060567
ΔH_f, kcal/mol:	2.5
Dipole, Da:	6.41
IP(EA), eV:	-9.31(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-4-(trifluoromethylsulfanyl)benzamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C=C(S2)C(=O)NC(C)C3=NC=NN3

DOS

IR

Vibrations