Geometry & MOs

Info

ID:	68282
PubChem CID:	46508112
Reduced:	O2F3N3H16C17 (1)
Stoich.:	A2B3C3D16E17 (1)
Weight, g/mol:	483.191581
ΔH_f, kcal/mol:	-207.54
Dipole, Da:	6.71
IP(EA), eV:	-9.26(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CC(=O)NC2=CC=CC(=C2)C(F)(F)F)NC(=O)N

DOS

IR

Vibrations