Geometry & MOs

Info

ID:	55724
PubChem CID:	17396179
Reduced:	OSN5C19H25 (1)
Stoich.:	ABC5D19E25 (1)
Weight, g/mol:	370.126361
ΔH_f, kcal/mol:	25.53
Dipole, Da:	1.77
IP(EA), eV:	-8.86(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCC(C1C)NC(=O)C(C)SC2=NNC3=NC4=CC=CC=C4N32

DOS

IR

Vibrations