Geometry & MOs

Info

ID:

219615

PubChem CID:

85154869

Reduced:

NSiO4C30H47 (1)

Stoich.:

ABC4D30E47 (1)

Weight, g/mol:

513.160139

ΔHf, kcal/mol:

-202.63

Dipole, Da:

6.12

IP(EA), eV:

 -8.52(0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-chloro-10-[methoxy-(3-methylimidazol-4-yl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene

Drug info:

PubChemData

Smile

CCOC(=C=C(CCCC=CCOCC1=CC=CC=C1)CCC(=O)N2C(CCC2C)C)O[Si](C)(C)C

DOS

IR

Vibrations