Geometry & MOs

Info

ID:	146094
PubChem CID:	53634915
Reduced:	OS2N6C17H30 (1)
Stoich.:	AB2C6D17E30 (1)
Weight, g/mol:	493.987291
ΔH_f, kcal/mol:	-20.31
Dipole, Da:	4.68
IP(EA), eV:	-8.68(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloroethyl (6S,7R)-3-methoxy-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)N(CCC#N)SN1CCN(C1=O)SN(CCC#N)C(C)(C)C

DOS

IR

Vibrations