Geometry & MOs

Info

ID:	426725
PubChem CID:	135153570
Reduced:	BrO2N3S3F5H5C11 (1)
Stoich.:	AB2C3D3E5F5G11 (1)
Weight, g/mol:	333.00534
ΔH_f, kcal/mol:	-226.44
Dipole, Da:	4.29
IP(EA), eV:	-9.64(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethyl)-N-(4-methylsulfonylphenyl)thiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)Br)NC(=S)C2=C(N=NS2)C(F)F

DOS

IR

Vibrations