Geometry & MOs

Info

ID:

436376

PubChem CID:

135199512

Reduced:

N2O7C30H40 (1)

Stoich.:

A2B7C30D40 (1)

Weight, g/mol:

560.28978

ΔHf, kcal/mol:

-293.7

Dipole, Da:

3.01

IP(EA), eV:

 -8.76(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3S)-3-(4-fluoro-2-methylphenyl)-4-methylpentan-2-yl] (2S)-2-[[4-methoxy-3-(3-methoxypropanoyloxy)pyridine-2-carbonyl]amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[C@@H](C2CCCCC2)[C@H](C)OC(=O)[C@H](C)NC(=O)C3=NC=CC(=C3OCOC(=O)C)OC)C

DOS

IR

Vibrations