Geometry & MOs

Info

ID:

382367

PubChem CID:

134973474

Reduced:

O4N5C16H21 (1)

Stoich.:

A4B5C16D21 (1)

Weight, g/mol:

590.436652

ΔHf, kcal/mol:

-124.18

Dipole, Da:

8.53

IP(EA), eV:

 -9.28(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[(1R,2R,6S)-2-[(E)-2-[(2S,3S,6R)-6-[(E)-3-[(2S,5S)-5-(1-methoxyethyl)oxolan-2-yl]prop-1-enyl]-3-methyloxan-2-yl]-3-triethylsilyloxyprop-1-enyl]-6-methylcyclohexyl]propanal

Drug info:

PubChemData

Smile

CCN(C)C1=C(C(=O)N(N=C1C)C)C=C2C(=O)N(C(=O)N(C2=O)C)C

DOS

IR

Vibrations