Geometry & MOs

Info

ID:

7126

PubChem CID:

71309

Reduced:

S3N5O7H17C19 (1)

Stoich.:

A3B5C7D17E19 (1)

Weight, g/mol:

523.029011

ΔHf, kcal/mol:

-120.15

Dipole, Da:

5.51

IP(EA), eV:

 -9.18(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CON=C(C1=CSC(=N1)N)C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSC(=O)C4=CC=CO4)C(=O)O

DOS

IR

Vibrations