Geometry & MOs

Info

ID:

376111

PubChem CID:

134222114

Reduced:

NSO6H27C30 (1)

Stoich.:

ABC6D27E30 (1)

Weight, g/mol:

564.193023

ΔHf, kcal/mol:

-95.43

Dipole, Da:

3.3

IP(EA), eV:

 -8.8(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 5-[[4-[(2R)-2-(5-ethylpyridin-2-yl)-4-methoxy-4-oxobutoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazolidine-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC=CC=C(C=CC=C1)C(COC2=CC=C(C=C2)CC3(C(=O)NC(=O)S3)C(=O)OCC4=CC=CC=C4)O

DOS

IR

Vibrations