Geometry & MOs

Info

ID:	431779
PubChem CID:	135171885
Reduced:	ClSN8C22H31 (1)
Stoich.:	ABC8D22E31 (1)
Weight, g/mol:	476.08572
ΔH_f, kcal/mol:	106.84
Dipole, Da:	4.96
IP(EA), eV:	-8.54(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-N-cyclohexyl-1-N-(2-methylpropyl)-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzene-1,2-diamine

Drug info:

PubChemData

Smile

C[C@H](CC1=NNN=N1)C2=CC(=C(C=C2)N(CC(C)C)C3CCCCC3)NC4=NC(=NS4)Cl

DOS

IR

Vibrations