Geometry & MOs

Info

ID:

588

PubChem CID:

3040

Reduced:

SCl2N3O5H16C19 (1)

Stoich.:

AB2C3D5E16F19 (1)

Weight, g/mol:

468.018772

ΔHf, kcal/mol:

-117.84

Dipole, Da:

7.16

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.758406

Charge, e:

 -1

Chem-info

IUPAC name:

6-[[3-(2,6-dichlorophenyl)-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=C(C=CC=C2Cl)Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-]

DOS

IR

Vibrations