Geometry & MOs

Info

ID:

133299

PubChem CID:

51505547

Reduced:

SN2O4C18H25 (1)

Stoich.:

AB2C4D18E25 (1)

Weight, g/mol:

417.196037

ΔHf, kcal/mol:

-110.21

Dipole, Da:

3.59

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.783206

Charge, e:

 1

Chem-info

IUPAC name:

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4R)-4-hydroxy-6,7-dimethylspiro[3,4-dihydrochromene-2,4'-piperidin-1-ium]-1'-yl]acetamide

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)N2CCC(CC2)CCC3=CC=C(C=C3)C(=O)[O-]

DOS

IR

Vibrations