Geometry & MOs

Info

ID:

381056

PubChem CID:

134971684

Reduced:

N5O7C38H67 (1)

Stoich.:

A5B7C38D67 (1)

Weight, g/mol:

278.188195

ΔHf, kcal/mol:

-406.99

Dipole, Da:

9.15

IP(EA), eV:

 -8.18(0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,4S,5S)-4-[(1E,3E)-4-[(2S)-3,3-dimethyloxiran-2-yl]-2-methylpenta-1,3-dienyl]-1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexane

Drug info:

PubChemData

Smile

CCCC(=O)N[C@@H](CC1=CC=C(C=C1)OC(C)(C)C)C(=O)NCCCN(CCCN(CCCCNC)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations