Geometry & MOs

Info

ID:

149801

PubChem CID:

53789478

Reduced:

FPO12C30H40 (1)

Stoich.:

ABC12D30E40 (1)

Weight, g/mol:

407.122501

ΔHf, kcal/mol:

-635.42

Dipole, Da:

6.6

IP(EA), eV:

 -9.91(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[[3,5-di(butan-2-yl)-2-hydroxyphenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H](C3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)OP(=O)(O)OCC(=O)O)C)C)OC(=O)CC

DOS

IR

Vibrations