Geometry & MOs

Info

ID:

795

PubChem CID:

3364

Reduced:

ClFSN3O5H17C19 (1)

Stoich.:

ABCD3E5F17G19 (1)

Weight, g/mol:

453.056148

ΔHf, kcal/mol:

-171.66

Dipole, Da:

3.05

IP(EA), eV:

 -9.64(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O

DOS

IR

Vibrations