Geometry & MOs

Info

ID:

227915

PubChem CID:

87562986

Reduced:

NO12C30H32 (2)

Stoich.:

AB12C30D32 (2)

Weight, g/mol:

476.303893

ΔHf, kcal/mol:

-927.4

Dipole, Da:

8.96

IP(EA), eV:

 -8.81(-1.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z,8Z,11Z,14Z)-20-(7-amino-4-methyl-2-oxochromen-3-yl)icosa-5,8,11,14-tetraenamide

Drug info:

PubChemData

Smile

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O.C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H](O[C@@H]([C@@H]([C@]2(C)O)O)C)OC3=CC=CC4=C3C5=C6C7=C(C=CC(=C7C(=O)O5)C)OC(=O)C6=C4O)N)OC)O

DOS

IR

Vibrations