Geometry & MOs

Info

ID:	84630
PubChem CID:	49868923
Reduced:	O2N5C23H23 (1)
Stoich.:	A2B5C23D23 (1)
Weight, g/mol:	342.096203
ΔH_f, kcal/mol:	41.91
Dipole, Da:	0.41
IP(EA), eV:	-8.41(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-difluoro-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CN=C2C(=C1N3CCN(C4(C3)CC4)C(=O)C5=CC6=CC=CC=C6N5)C=CN2

DOS

IR

Vibrations