Geometry & MOs

Info

ID:	432106
PubChem CID:	135172238
Reduced:	ClSC8H15 (1)
Stoich.:	ABC8D15 (1)
Weight, g/mol:	534.191246
ΔH_f, kcal/mol:	-44.52
Dipole, Da:	3.84
IP(EA), eV:	-8.83(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-hydroxycyclohexyl)-(2-methylpropyl)amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]benzoic acid

Drug info:

PubChemData

Smile

CC1(CC(SC1(C)C)Cl)C

DOS

IR

Vibrations