Geometry & MOs

Info

ID:	84665
PubChem CID:	49869225
Reduced:	FOCl2N5C25H28 (1)
Stoich.:	ABC2D5E25F28 (1)
Weight, g/mol:	410.177647
ΔH_f, kcal/mol:	-35.18
Dipole, Da:	7.52
IP(EA), eV:	-8.57(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=C(N1C2=CC=CC=C2F)C)C(=O)NCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations