Geometry & MOs

Info

ID:

380720

PubChem CID:

134971248

Reduced:

NO9C36H57 (1)

Stoich.:

AB9C36D57 (1)

Weight, g/mol:

561.330167

ΔHf, kcal/mol:

-421.83

Dipole, Da:

1.42

IP(EA), eV:

 -9.27(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-benzamido-2-[(4R,5R)-2,2-dimethyl-5-[(E)-7-oxotridec-2-enyl]-1,3-dioxolan-4-yl]-3-(methoxymethoxy)propanoate

Drug info:

PubChemData

Smile

CCCCCCC1(OCC(CO1)(C)C)CCCC=CC[C@@H]2[C@H](OC(O2)(C)C)[C@@](COCOC)(C(=O)OC)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations