Geometry & MOs

Info

ID:	22354
PubChem CID:	596906
Reduced:	ClSF3N3H7C10 (1)
Stoich.:	ABC3D3E7F10 (1)
Weight, g/mol:	293.000131
ΔH_f, kcal/mol:	-92.94
Dipole, Da:	6.16
IP(EA), eV:	-9.5(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-6-methylphenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)NC2=NN=C(S2)C(F)(F)F

DOS

IR

Vibrations