Geometry & MOs

Info

ID:

320753

PubChem CID:

126663190

Reduced:

NO2C15H19 (1)

Stoich.:

AB2C15D19 (1)

Weight, g/mol:

693.300993

ΔHf, kcal/mol:

-81.59

Dipole, Da:

4.36

IP(EA), eV:

 -9.42(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(1-hydroxypropan-2-yloxy)-2-methoxyethyl] 5-[[(2S)-3-methyl-1-[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenoxy]-1-oxobutan-2-yl]amino]-5-oxopentanoate

Drug info:

PubChemData

Smile

CCCC(=O)N1CCCC(=O)C2=CC=CC(=C21)C

DOS

IR

Vibrations