Geometry & MOs

Info

ID:	67569
PubChem CID:	46506736
Reduced:	FBr2S2N3O4H12C18 (1)
Stoich.:	AB2C2D3E4F12G18 (1)
Weight, g/mol:	407.080058
ΔH_f, kcal/mol:	-123.15
Dipole, Da:	6.61
IP(EA), eV:	-9.45(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[5-methyl-1-(2-nitrophenyl)triazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)NC3=C(C=C(C=C3)Br)F)Br

DOS

IR

Vibrations