Geometry & MOs

Info

ID:	156758
PubChem CID:	56374260
Reduced:	SF2N2O4C23H26 (1)
Stoich.:	AB2C2D4E23F26 (1)
Weight, g/mol:	410.122418
ΔH_f, kcal/mol:	-210.55
Dipole, Da:	4.13
IP(EA), eV:	-8.82(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[6-(difluoromethoxy)-3,4-dihydronaphthalen-2-yl]sulfonyl]-4-(1,2,4-triazol-1-yl)piperidine

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)OC(F)F)C=C1S(=O)(=O)N(CCN3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations