Geometry & MOs

Info

ID:

5079

PubChem CID:

12557

Reduced:

ClNaSN3O5H17C19 (1)

Stoich.:

ABCD3E5F17G19 (1)

Weight, g/mol:

457.047514

ΔHf, kcal/mol:

-173.17

Dipole, Da:

4.96

IP(EA), eV:

 -9.25(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;(2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].[Na+]

DOS

IR

Vibrations