Geometry & MOs

Info

ID:

299194

PubChem CID:

117677403

Reduced:

SO3N7C22H27 (1)

Stoich.:

AB3C7D22E27 (1)

Weight, g/mol:

503.163868

ΔHf, kcal/mol:

-57.31

Dipole, Da:

6.22

IP(EA), eV:

 -8.82(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-6-[[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]-5-[4-(4-fluorophenyl)-3H-1,3-thiazol-2-ylidene]-2-morpholin-4-ylpyrimidin-4-one

Drug info:

PubChemData

Smile

CNC(=O)C1CN(CCO1)C2=NC(=O)/C(=C/3\NC4=CC=CC=C4S3)/C(=N2)NC5CCCNC5

DOS

IR

Vibrations