Geometry & MOs

Info

ID:

163303

PubChem CID:

57718019

Reduced:

N2O5C44H50 (1)

Stoich.:

A2B5C44D50 (1)

Weight, g/mol:

348.204907

ΔHf, kcal/mol:

-179.02

Dipole, Da:

3.7

IP(EA), eV:

 -8.83(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-methyl-2-[2-methyl-4-[3-[(4S)-3-methyl-2-oxoimidazolidin-4-yl]propyl]phenoxy]propanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)[C@@H]3CC4=C(CN3C(=O)CC5CCCC5)C=C(C=C4)OC6=CC=C(C=C6)C(C)(C)C)C

DOS

IR

Vibrations