Geometry & MOs

Info

ID:	84621
PubChem CID:	49868685
Reduced:	NO2C7H13 (1)
Stoich.:	AB2C7D13 (1)
Weight, g/mol:	484.119224
ΔH_f, kcal/mol:	-106.2
Dipole, Da:	4.18
IP(EA), eV:	-9.42(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC[C@H](N1)C(=O)O)C

DOS

IR

Vibrations