Geometry & MOs

Info

ID:	71113
PubChem CID:	48414305
Reduced:	FO3N4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	400.168145
ΔH_f, kcal/mol:	-69.83
Dipole, Da:	4.36
IP(EA), eV:	-9.68(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)CNC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations