Geometry & MOs

Info

ID:

219125

PubChem CID:

85090642

Reduced:

N2O7C32H44 (1)

Stoich.:

A2B7C32D44 (1)

Weight, g/mol:

570.209439

ΔHf, kcal/mol:

-317.87

Dipole, Da:

1.44

IP(EA), eV:

 -8.81(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-fluorophenyl)-1-[4-(1-methylsulfonylpiperidin-4-yl)-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)CCCOC2=CC=C(C=C2)CC(CC(=O)OC)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations