Geometry & MOs

Info

ID:	130788
PubChem CID:	51107830
Reduced:	OF2N3H15C19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	276.104482
ΔH_f, kcal/mol:	-51.0
Dipole, Da:	2.96
IP(EA), eV:	-8.14(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CNC2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations