Geometry & MOs

Info

ID:

218706

PubChem CID:

85089840

Reduced:

SN6O7C20H30 (1)

Stoich.:

AB6C7D20E30 (1)

Weight, g/mol:

498.236601

ΔHf, kcal/mol:

-258.82

Dipole, Da:

2.3

IP(EA), eV:

 -8.92(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-methoxy-10-methyl-12-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-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

CC(C)OC(=O)C(CCSCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O)NC(=O)COC

DOS

IR

Vibrations