Geometry & MOs

Info

ID:	476
PubChem CID:	2813
Reduced:	ClSN3O5H17C19 (1)
Stoich.:	ABC3D5E17F19 (1)
Weight, g/mol:	434.057745
ΔH_f, kcal/mol:	-56.66
Dipole, Da:	6.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.852893
Charge, e:	-1

Chem-info

IUPAC name:

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)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-]

DOS

IR

Vibrations