Geometry & MOs

Info

ID:

44434

PubChem CID:

10503572

Reduced:

ClO3N8C19H23 (1)

Stoich.:

AB3C8D19E23 (1)

Weight, g/mol:

446.00012

ΔHf, kcal/mol:

-63.11

Dipole, Da:

5.24

IP(EA), eV:

 -9.8(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl (1S,2R,3S,6R,7S,8S)-12-bromo-9,14-dioxo-17-oxapentacyclo[6.6.2.13,6.01,11.02,7]heptadeca-4,10,12,15-tetraene-4,5-dicarboxylate

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C(=O)N[C@H](CCNC2=NC(=NC(=N2)Cl)N1)C(=O)N)CC3=CC=CC=C3

DOS

IR

Vibrations