Geometry & MOs

Info

ID:

307131

PubChem CID:

125269336

Reduced:

FSO2N4C22H25 (1)

Stoich.:

ABC2D4E22F25 (1)

Weight, g/mol:

639.318951

ΔHf, kcal/mol:

-41.3

Dipole, Da:

5.25

IP(EA), eV:

 -9.21(-1.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(5R,6S,7E,9E,11E,14E)-5-hydroxy-1-methoxy-1-oxoicosa-7,9,11,14-tetraen-6-yl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC[C@@H]1CCCCN1C(=O)CS[C@@H]2N=C3C=C(N=C3C(=O)N2C4=CC=C(C=C4)F)C

DOS

IR

Vibrations