Geometry & MOs

Info

ID:	426759
PubChem CID:	135153743
Reduced:	BrSN3H16C27 (1)
Stoich.:	ABC3D16E27 (1)
Weight, g/mol:	334.983245
ΔH_f, kcal/mol:	161.02
Dipole, Da:	2.08
IP(EA), eV:	-8.5(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[3-(trifluoromethylsulfanyl)phenyl]thiadiazole-5-carbothioamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC4=C3SC5=CC=CC=C45)C6=CC(=CC=C6)Br

DOS

IR

Vibrations