Geometry & MOs

Info

ID:

227287

PubChem CID:

87561055

Reduced:

Cl2N3O3H23C24 (1)

Stoich.:

A2B3C3D23E24 (1)

Weight, g/mol:

1456.835401

ΔHf, kcal/mol:

-56.95

Dipole, Da:

4.7

IP(EA), eV:

 -9.6(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[4-[21-methoxy-5,5-bis(4-methoxyphenyl)-10-[4-[4-[4-(4-pentylcyclohexyl)cyclohexanecarbonyl]oxyphenyl]piperazin-1-yl]-21-(trifluoromethyl)-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-11-yl]piperazin-1-yl]phenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C#CCN1C(C(=O)N(CC1=O)C(CC2=CC=C(C=C2)Cl)Cl)CC(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations