Geometry & MOs

Info

ID:

132627

PubChem CID:

51388434

Reduced:

S3O4N6C17H18 (1)

Stoich.:

A3B4C6D17E18 (1)

Weight, g/mol:

465.047342

ΔHf, kcal/mol:

-34.69

Dipole, Da:

5.06

IP(EA), eV:

 -9.21(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

(6S,7R)-7-[(2-ethylpyrazole-3-carbonyl)amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCN1C(=CC=N1)C(=O)N[C@@H]2[C@@H]3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)C)C(=O)O

DOS

IR

Vibrations