Geometry & MOs

Info

ID:

222643

PubChem CID:

85306411

Reduced:

NO6C27H37 (1)

Stoich.:

AB6C27D37 (1)

Weight, g/mol:

471.149778

ΔHf, kcal/mol:

-280.96

Dipole, Da:

6.59

IP(EA), eV:

 -9.78(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-(4-ethoxycarbonyl-1,3-thiazolidin-2-yl)pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC2CN(C(C1)(O2)CCC3(C(=O)CCCC3(C)CC(=O)O)C)C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations