Geometry & MOs

Info

ID:	84894
PubChem CID:	49870585
Reduced:	F2O2N9C24H27 (1)
Stoich.:	A2B2C9D24E27 (1)
Weight, g/mol:	546.152416
ΔH_f, kcal/mol:	-31.81
Dipole, Da:	5.1
IP(EA), eV:	-9.07(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2,4-bis(trifluoromethyl)phenyl]-2-ethyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CN(C)CCOC1=CN=CC(=C1)NC2=NC(=NC(=N2)N3CCOCC3)N4C5=CC=CC=C5N=C4C(F)F

DOS

IR

Vibrations