Geometry & MOs

Info

ID:

82951

PubChem CID:

49856868

Reduced:

O7C24H42 (1)

Stoich.:

A7B24C42 (1)

Weight, g/mol:

662.439384

ΔHf, kcal/mol:

-371.66

Dipole, Da:

0.97

IP(EA), eV:

 -9.92(0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(4S,6S)-6-[[(4S,6S)-6-[[(4R,6R)-6-[(E,3S,4S)-4-[(4-methoxyphenyl)methoxy]-3,5-dimethylhex-1-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethanol

Drug info:

PubChemData

Smile

CC1(O[C@H](C[C@H](O1)C[C@@H]2C[C@H](OC(O2)(C)C)C[C@@H]3C[C@@H](OC(O3)(C)C)C=C)CCO)C

DOS

IR

Vibrations