Geometry & MOs

Info

ID:

308248

PubChem CID:

125324502

Reduced:

O12C27H38 (1)

Stoich.:

A12B27C38 (1)

Weight, g/mol:

366.09642

ΔHf, kcal/mol:

-480.16

Dipole, Da:

4.63

IP(EA), eV:

 -9.24(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-oxo-N-[[(5S)-3-[(3R)-2-oxo-3H-pyridin-3-yl]-2,5-dihydro-1,2,4-oxadiazol-5-yl]methyl]chromene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@]12CCC(=O)C=C1[C@@H](C[C@H]3[C@H]2[C@@H](C[C@@]4([C@@H]3CC[C@]4(C(=O)CO[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)C(=O)O)O)O)O)O)C)O)O

DOS

IR

Vibrations