Geometry & MOs

Info

ID:

144265

PubChem CID:

53340168

Reduced:

SF3N3O8C33H36 (1)

Stoich.:

AB3C3D8E33F36 (1)

Weight, g/mol:

616.372367

ΔHf, kcal/mol:

-424.11

Dipole, Da:

4.62

IP(EA), eV:

 -9.39(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,3-dihydroxypropan-2-yl (2S)-2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-6-[[(E)-4-methoxy-4-oxobut-2-enoyl]amino]hexanoate

Drug info:

PubChemData

Smile

CC[C@H](C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2CN(C(=O)O2)C3=CC=CC(=C3)C(F)(F)F)O)S(=O)(=O)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations