Geometry & MOs

Info

ID:

56794

PubChem CID:

22390360

Reduced:

ClSN5O6H20C23 (1)

Stoich.:

ABC5D6E20F23 (1)

Weight, g/mol:

608.145124

ΔHf, kcal/mol:

-109.32

Dipole, Da:

17.58

IP(EA), eV:

 -8.11(-2.62)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

6-(1-hydroxyethyl)-4-methyl-3-[7-[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carbonyl]imidazo[5,1-b][1,3]thiazol-2-yl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1C2C(C(=O)N2C(=C1C3=CN4C(=C(N=C4Cl)C(=O)C5=CC=CC=[N+]5CC(=O)N)S3)C(=O)[O-])C(C)O

DOS

IR

Vibrations