Geometry & MOs

Info

ID:	426734
PubChem CID:	135153618
Reduced:	S2F3O4N5C23H32 (1)
Stoich.:	A2B3C4D5E23F32 (1)
Weight, g/mol:	434.89342
ΔH_f, kcal/mol:	-287.98
Dipole, Da:	8.83
IP(EA), eV:	-9.17(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-bromo-6-fluoro-4-(trifluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carbothioamide

Drug info:

PubChemData

Smile

CC(C)CN(C1CCN(CC1)S(=O)(=O)C)C2=C(C=C(C=C2)C(C)CC(=O)O)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations