Geometry & MOs

Info

ID:	84813
PubChem CID:	49870061
Reduced:	O2N5C27H35 (1)
Stoich.:	A2B5C27D35 (1)
Weight, g/mol:	352.136925
ΔH_f, kcal/mol:	-36.37
Dipole, Da:	5.24
IP(EA), eV:	-8.56(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)CC(CNC(=O)C3=C(N(C(=N3)C)C4=CC=CC=C4)C)O)C

DOS

IR

Vibrations