Geometry & MOs

Info

ID:

226893

PubChem CID:

87558838

Reduced:

N4O7F10H46C51 (1)

Stoich.:

A4B7C10D46E51 (1)

Weight, g/mol:

402.142701

ΔHf, kcal/mol:

-667.81

Dipole, Da:

9.46

IP(EA), eV:

 -8.59(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[(2S)-2-[acetyl-(7-methoxy-2-oxochromen-4-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N(CCC2=CC=C(C=C2)C(F)(F)F)C(=O)C(C3=CC=CC=C3)N)OC.COC1=CC=CC=C1C(C(=O)N(CCC2=CC=C(C=C2)C(F)(F)F)C3=CC4=C(C=C3)OC(C(O4)(F)F)(F)F)N

DOS

IR

Vibrations