Geometry & MOs

Info

ID:

161057

PubChem CID:

57390642

Reduced:

N5O16C64H105 (1)

Stoich.:

A5B16C64D105 (1)

Weight, g/mol:

296.152478

ΔHf, kcal/mol:

-734.13

Dipole, Da:

10.5

IP(EA), eV:

 -8.26(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E,4E)-2-cyano-4-methyl-N-(oxolan-2-ylmethyl)-5-phenylpenta-2,4-dienamide

Drug info:

PubChemData

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CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)OC(=O)CCN3CCN(CC3)CCCC4=CC5=C(C=C4)N(C=C(C5=O)C(=O)OCC)C6CC6)(C)OC)C)O[C@H]7[C@@H]([C@H](C[C@H](O7)C)N(C)C)O)(C)O)C)C)C)OC)(C)O

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IR

Vibrations