Geometry & MOs

Info

ID:

309650

PubChem CID:

126552010

Reduced:

O6N10C55H80 (1)

Stoich.:

A6B10C55D80 (1)

Weight, g/mol:

560.277404

ΔHf, kcal/mol:

-172.45

Dipole, Da:

8.45

IP(EA), eV:

 -8.54(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[4-[(E)-3-[4-[2-(2-methylprop-2-enoyloxy)ethyl]phenoxy]-3-oxoprop-1-enyl]cyclohexyl]phenoxy]propyl 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CC[C@H]3[C@@H]2CN(CC3)CCC4=CC=C(C=C4)OCCOCCOCCOC5CCC(CC5)NC6=NC=CC(=N6)C7=C(N(N=C7)CC8=CC=CC=C8)N(C)C)NC

DOS

IR

Vibrations