Geometry & MOs

Info

ID:

381754

PubChem CID:

134972577

Reduced:

O2C18H31 (1)

Stoich.:

A2B18C31 (1)

Weight, g/mol:

366.222636

ΔHf, kcal/mol:

-129.99

Dipole, Da:

3.12

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.755068

Charge, e:

0

Chem-info

IUPAC name:

(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-4-methylpentanal

Drug info:

PubChemData

Smile

CCCCCC(C)(CO)C12CC[C@@H](C1[C+](CC2=O)C)C

DOS

IR

Vibrations