Geometry & MOs

Info

ID:

185719

PubChem CID:

77338196

Reduced:

N2O3C21H28 (1)

Stoich.:

A2B3C21D28 (1)

Weight, g/mol:

590.186662

ΔHf, kcal/mol:

-119.39

Dipole, Da:

4.69

IP(EA), eV:

 -9.13(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[1-[C-methyl-N-[(4-nitrophenyl)methoxycarbonyl]carbonimidoyl]pyrrolidin-3-yl]sulfanyl-7-oxo-6-(1-trimethylsilyloxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC(CNC1CCOC1O)NC(=O)C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations