Geometry & MOs

Info

ID:	242839
PubChem CID:	99213309
Reduced:	BrClOSN4H12C18 (1)
Stoich.:	ABCDE4F12G18 (1)
Weight, g/mol:	392.014617
ΔH_f, kcal/mol:	82.88
Dipole, Da:	2.75
IP(EA), eV:	-8.9(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-fluoro-4-methyl-5-nitrobenzamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=C1C(=O)NC3=NN=C(S3)C4=CC=CC=C4Cl)Br

DOS

IR

Vibrations