Geometry & MOs

Info

ID:

214592

PubChem CID:

85083245

Reduced:

SiO9C28H46 (1)

Stoich.:

AB9C28D46 (1)

Weight, g/mol:

555.127779

ΔHf, kcal/mol:

-478.75

Dipole, Da:

5.05

IP(EA), eV:

 -9.0(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(19-ethyl-10-nitro-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) 2-acetyloxybenzoate

Drug info:

PubChemData

Smile

CC1(C2(CCC1(OC2=O)C(=O)OC3C4C(C(C5C3OC(O5)(C)C)O[Si](C)(C)C(C)(C)C)OC(O4)(C)C)C)C

DOS

IR

Vibrations