Geometry & MOs

Info

ID:

188723

PubChem CID:

77759553

Reduced:

NaSN3O6C16H17 (1)

Stoich.:

ABC3D6E16F17 (1)

Weight, g/mol:

379.083806

ΔHf, kcal/mol:

-217.8

Dipole, Da:

2.58

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.828904

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(3-acetamidophenyl)prop-2-enoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC(=C1)C=CC(=O)N2CCC3C2C(=O)N3S(=O)(=O)O.[Na]

DOS

IR

Vibrations