Geometry & MOs

Info

ID:

56792

PubChem CID:

22390233

Reduced:

SN6O7H22C24 (1)

Stoich.:

AB6C7D22E24 (1)

Weight, g/mol:

499.18894

ΔHf, kcal/mol:

-146.15

Dipole, Da:

19.96

IP(EA), eV:

 -8.1(-2.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[7-[1-(3-aminopropyl)-3,4-dihydro-2H-pyridine-5-carbonyl]imidazo[5,1-b][1,3]thiazol-2-yl]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1C2C(C(=O)N2C(=C1C3=CN4C(=C(N=C4C(=O)N)C(=O)C5=CC=CC=[N+]5CC(=O)N)S3)C(=O)[O-])C(C)O

DOS

IR

Vibrations