Geometry & MOs

Info

ID:

189101

PubChem CID:

77818820

Reduced:

N2O5C23H26 (1)

Stoich.:

A2B5C23D26 (1)

Weight, g/mol:

844.114013

ΔHf, kcal/mol:

-182.8

Dipole, Da:

4.05

IP(EA), eV:

 -8.56(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

disodium;3-[[[1-(3-carboxylato-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)pyrrolidin-3-yl]hydrazinylidene]methylsulfanylmethyl]-7-[(2-hydroxy-2-phenylacetyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OC)CN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations