Geometry & MOs

Info

ID:

145296

PubChem CID:

53493924

Reduced:

ClS2N4O4C25H29 (1)

Stoich.:

AB2C4D4E25F29 (1)

Weight, g/mol:

564.12679

ΔHf, kcal/mol:

-73.9

Dipole, Da:

6.45

IP(EA), eV:

 -8.54(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2-hydroxyethylamino)ethyl 4-[5-(5-chloropyridin-2-yl)sulfanyl-4-(4-methylsulfinylphenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CN(C)CCOC(=O)N1CCC(CC1)C2=NC(=C(O2)SC3=NC=C(C=C3)Cl)C4=CC=C(C=C4)S(=O)C

DOS

IR

Vibrations