Geometry & MOs

Info

ID:

221737

PubChem CID:

85286092

Reduced:

ClS4O5N7C21H22 (1)

Stoich.:

AB4C5D7E21F22 (1)

Weight, g/mol:

615.025379

ΔHf, kcal/mol:

-65.49

Dipole, Da:

4.16

IP(EA), eV:

 -8.81(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-[3-(2-aminopropylsulfanylmethyl)pyridin-4-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(CSCC1=C(C=CN=C1)SC2=C(N3C(C(C3=O)NC(=O)C(=NO)C4=C(SC(=N4)N)Cl)SC2)C(=O)[O-])[NH3+]

DOS

IR

Vibrations