Geometry & MOs

Info

ID:

132710

PubChem CID:

51405093

Reduced:

SN3O5C17H25 (1)

Stoich.:

AB3C5D17E25 (1)

Weight, g/mol:

417.13066

ΔHf, kcal/mol:

-170.92

Dipole, Da:

16.33

IP(EA), eV:

 -8.87(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(4R,4'S)-6,6-dimethyl-2-prop-2-enylsulfanyl-4'-thiophen-2-ylspiro[1,5-dihydropyrimidin-3-ium-4,2'-3,4-dihydrochromene]-7',8'-diol

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]2[C@@H](C(=O)N2C(=C1S[C@@H]3C[C@@H]([NH2+]C3)C(=O)N(C)C)C(=O)[O-])[C@@H](C)O

DOS

IR

Vibrations