Geometry & MOs

Info

ID:

223852

PubChem CID:

85335659

Reduced:

N2O11H26C31 (1)

Stoich.:

A2B11C26D31 (1)

Weight, g/mol:

603.294234

ΔHf, kcal/mol:

-259.16

Dipole, Da:

4.35

IP(EA), eV:

 -8.76(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2=C3CC4C(COC4=O)C(C3=CC5=C2OCO5)OC(=O)C6=CC7=C(N6)C(=CC=C7)[N+](=O)[O-]

DOS

IR

Vibrations