Geometry & MOs

Info

ID:

425622

PubChem CID:

135127023

Reduced:

N6O8C29H42 (1)

Stoich.:

A6B8C29D42 (1)

Weight, g/mol:

399.298473

ΔHf, kcal/mol:

-311.0

Dipole, Da:

3.13

IP(EA), eV:

 -9.91(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[3-(3-cyclopropyl-1,1-dihydroxypropan-2-yl)oxy-2,2-dimethylpropyl]cyclopropyl]-2-(2,2-dimethylpropylamino)propanoic acid

Drug info:

PubChemData

Smile

CC(C)(CCN1C(=O)N(C(=O)N(C1=O)CC=C)CC=C)OCC(C)(C)OCCN2C(=O)N(C(=O)N(C2=O)CC=C)CC=C

DOS

IR

Vibrations