Geometry & MOs

Info

ID:

307352

PubChem CID:

125299666

Reduced:

NO6C20H25 (1)

Stoich.:

AB6C20D25 (1)

Weight, g/mol:

447.179421

ΔHf, kcal/mol:

-247.4

Dipole, Da:

6.21

IP(EA), eV:

 -9.43(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[(1R,2S,8R)-6-(2-methoxyethyl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-10,12,14,16-tetraen-2-yl]benzoate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)OC)NC(=O)[C@H](C)OC1=CC2=C(C=C1)C(=CC(=O)O2)C

DOS

IR

Vibrations