Geometry & MOs

Info

ID:

380628

PubChem CID:

134971124

Reduced:

O7C34H56 (1)

Stoich.:

A7B34C56 (1)

Weight, g/mol:

576.402604

ΔHf, kcal/mol:

-342.69

Dipole, Da:

2.93

IP(EA), eV:

 -9.4(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (Z)-2-[(2R,3R,6S)-6-[(E,3S)-3-[(2R,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl]but-1-enyl]-3-methyloxan-2-yl]-3-[(1S,2S,3R)-2-[(2S)-1-methoxy-1-oxopropan-2-yl]-3-methylcyclohexyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/[C@H](C)CC[C@@H](/C=C/[C@H](C)[C@H]1[C@H](C[C@@H](O1)[C@H](C)OC)C)O)/C=C/CCC[C@@H](C)/C=C(\C)/C(=O)OC

DOS

IR

Vibrations