Geometry & MOs

Info

ID:

67372

PubChem CID:

46506365

Reduced:

ClSN2O3C22H25 (1)

Stoich.:

ABC2D3E22F25 (1)

Weight, g/mol:

550.153846

ΔHf, kcal/mol:

-85.13

Dipole, Da:

5.68

IP(EA), eV:

 -8.19(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-chloro-10-[3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl]-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one

Drug info:

PubChemData

Smile

CC1C2C3=C(C=CC(=C3)Cl)OC1(N(C(=S)N2)CCC4=CC(=C(C=C4)OC)OC)C

DOS

IR

Vibrations