Geometry & MOs

Info

ID:	426724
PubChem CID:	135153548
Reduced:	Br2O2S2N3H4F5C11 (1)
Stoich.:	A2B2C2D3E4F5G11 (1)
Weight, g/mol:	480.86474
ΔH_f, kcal/mol:	-231.99
Dipole, Da:	3.97
IP(EA), eV:	-9.82(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-bromo-4-(trifluoromethylsulfonyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carbothioamide

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1Br)NC(=O)C2=C(N=NS2)C(F)F)Br)S(=O)C(F)(F)F

DOS

IR

Vibrations