Geometry & MOs

Info

ID:	125980
PubChem CID:	50946454
Reduced:	ClON3C20H24 (1)
Stoich.:	ABC3D20E24 (1)
Weight, g/mol:	370.064823
ΔH_f, kcal/mol:	-9.03
Dipole, Da:	4.93
IP(EA), eV:	-8.36(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC=C(C=C2)CNC(=O)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations