Geometry & MOs

Info

ID:

190363

PubChem CID:

77992238

Reduced:

N2O2C20H23 (2)

Stoich.:

A2B2C20D23 (2)

Weight, g/mol:

667.273437

ΔHf, kcal/mol:

-109.26

Dipole, Da:

8.17

IP(EA), eV:

 -9.29(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[1-[1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]acetyl] 3-oxohenicosa-6,9,12,15,18-pentaenoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NCCCCCCCCNC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations