Geometry & MOs

Info

ID:	426720
PubChem CID:	135153535
Reduced:	F2S2N3H11C16 (1)
Stoich.:	A2B2C3D11E16 (1)
Weight, g/mol:	512.80622
ΔH_f, kcal/mol:	26.09
Dipole, Da:	4.39
IP(EA), eV:	-9.01(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2,4-dibromo-6-(trifluoromethoxy)phenyl]-4-(difluoromethyl)thiadiazole-5-carbothioamide

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(=S)NC2=CC=CC=C2C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations