Geometry & MOs

Info

ID:

180701

PubChem CID:

76671198

Reduced:

N5O7H23C28 (1)

Stoich.:

A5B7C23D28 (1)

Weight, g/mol:

529.216591

ΔHf, kcal/mol:

-153.12

Dipole, Da:

6.79

IP(EA), eV:

 -9.34(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-(4-chloro-2-methylphenyl)-3-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]-1-nitrosopropylidene]-2-methylpiperidine

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)C#CC3(C(=O)NC(=O)N3)CN4CC5=C(C4=O)C=C(C=C5)OC)C6(C(=O)NC(=O)N6)C

DOS

IR

Vibrations