Geometry & MOs

Info

ID:	84825
PubChem CID:	49870189
Reduced:	F2O2N8H20C21 (1)
Stoich.:	A2B2C8D20E21 (1)
Weight, g/mol:	441.183461
ΔH_f, kcal/mol:	-33.8
Dipole, Da:	3.83
IP(EA), eV:	-9.02(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)NC2=NC(=NC(=N2)N3CCOCC3)N4C5=CC=CC=C5N=C4C(F)F

DOS

IR

Vibrations