Geometry & MOs

Info

ID:

324426

PubChem CID:

126677656

Reduced:

FO4N6C29H31 (1)

Stoich.:

AB4C6D29E31 (1)

Weight, g/mol:

712.327915

ΔHf, kcal/mol:

-116.21

Dipole, Da:

4.65

IP(EA), eV:

 -8.56(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2S)-3-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenyl]oxiran-2-yl]oxyethyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate

Drug info:

PubChemData

Smile

CC1C[C@](CN(C1)C2=NN(C=C2)C3=CC(=NC4=C3C(=O)N(C4)C(=O)OC(C)(C)C)C5=C(C=CC=C5F)C#N)(C)O

DOS

IR

Vibrations