Geometry & MOs

Info

ID:	1586
PubChem CID:	4731
Reduced:	SN2O5C16H18 (1)
Stoich.:	AB2C5D16E18 (1)
Weight, g/mol:	350.093643
ΔH_f, kcal/mol:	-166.26
Dipole, Da:	5.43
IP(EA), eV:	-9.48(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C

DOS

IR

Vibrations