Geometry & MOs

Info

ID:	431719
PubChem CID:	135171815
Reduced:	ClSO2N4C24H35 (1)
Stoich.:	ABC2D4E24F35 (1)
Weight, g/mol:	492.08063
ΔH_f, kcal/mol:	-69.25
Dipole, Da:	4.95
IP(EA), eV:	-8.64(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-bromo-N-(2-methylpropyl)-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]anilino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CCC(CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)C2CCCCC2)NC3=NC(=NS3)Cl

DOS

IR

Vibrations