Geometry & MOs

Info

ID:

221756

PubChem CID:

85286111

Reduced:

ClS4O6N7C20H20 (1)

Stoich.:

AB4C6D7E20F20 (1)

Weight, g/mol:

617.004644

ΔHf, kcal/mol:

-76.51

Dipole, Da:

4.21

IP(EA), eV:

 -8.45(-1.08)

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-aminoethylsulfinylmethyl)pyridin-4-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NO)C3=C(SC(=N3)N)Cl)C(=O)[O-])SC4=C(C=NC=C4)CS(=O)CC[NH3+]

DOS

IR

Vibrations