Geometry & MOs

Info

ID:

219730

PubChem CID:

85164697

Reduced:

SiO3C37H54 (1)

Stoich.:

AB3C37D54 (1)

Weight, g/mol:

575.226765

ΔHf, kcal/mol:

-167.39

Dipole, Da:

3.99

IP(EA), eV:

 -8.9(0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 12-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-nitro-11-oxo-2-oxa-10-azatricyclo[12.2.2.13,7]nonadeca-1(16),3,5,7(19),14,17-hexaene-9-carboxylate

Drug info:

PubChemData

Smile

CCCCCC=CC(C1C(CC2C1CC(=C2)CCCCCO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)O)O

DOS

IR

Vibrations