Geometry & MOs

Info

ID:

144624

PubChem CID:

53388086

Reduced:

ClO7H27C28 (1)

Stoich.:

AB7C27D28 (1)

Weight, g/mol:

615.431901

ΔHf, kcal/mol:

-203.67

Dipole, Da:

3.86

IP(EA), eV:

-9.06(-0.54)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(E,7S)-N-[(2S)-2-[(4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-phenylmethoxycyclohexen-1-yl]-2-methoxyethyl]-7-methoxydodec-4-enamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@](C(=O)OC)([C@](/C=C/C2=CC=C(C=C2)Cl)(C(=O)OC)O)OCC3=CC=CC=C3

DOS

IR

Vibrations