Geometry & MOs

Info

ID:	432102
PubChem CID:	135172234
Reduced:	NSC10H19 (1)
Stoich.:	ABC10D19 (1)
Weight, g/mol:	685.172835
ΔH_f, kcal/mol:	-20.82
Dipole, Da:	4.32
IP(EA), eV:	-8.74(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[2-methylpropyl-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]benzoate

Drug info:

PubChemData

Smile

CCCCCC1CCCC(=N)S1

DOS

IR

Vibrations