Geometry & MOs

Info

ID:

45188

PubChem CID:

10508991

Reduced:

N4O7C40H60 (1)

Stoich.:

A4B7C40D60 (1)

Weight, g/mol:

710.28908

ΔHf, kcal/mol:

-341.97

Dipole, Da:

6.57

IP(EA), eV:

 -9.64(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-2-(iodomethyl)-3-[(2S,3S,4S,7R,8S,9R,10R)-3,7,9-tris(methoxymethoxy)-12-[(4-methoxyphenyl)methoxy]-4,8,10-trimethyldodecan-2-yl]oxirane

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](COCC1=CC=CC=C1)C(=O)N[C@@H](CCCCNC(=O)OCC2=CC=CC=C2)C(=O)NCCCC3CCCCCCC3

DOS

IR

Vibrations