Geometry & MOs

Info

ID:	67579
PubChem CID:	46506757
Reduced:	ClSO2N6H13C17 (1)
Stoich.:	ABC2D6E13F17 (1)
Weight, g/mol:	370.064823
ΔH_f, kcal/mol:	79.1
Dipole, Da:	8.56
IP(EA), eV:	-9.2(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)N2C(=C(N=N2)C3=NSC(=N3)NC(=O)C4=CC=CO4)C

DOS

IR

Vibrations