Geometry & MOs

Info

ID:	5792
PubChem CID:	13795
Reduced:	SN2O6C19H22 (1)
Stoich.:	AB2C6D19E22 (1)
Weight, g/mol:	406.119858
ΔH_f, kcal/mol:	-227.59
Dipole, Da:	5.55
IP(EA), eV:	-9.49(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetyloxymethyl 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OCOC(=O)C1C(SC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)(C)C

DOS

IR

Vibrations