Geometry & MOs

Info

ID:	217523
PubChem CID:	85087939
Reduced:	O4N7C15H29 (1)
Stoich.:	A4B7C15D29 (1)
Weight, g/mol:	371.140259
ΔH_f, kcal/mol:	-89.24
Dipole, Da:	4.39
IP(EA), eV:	-9.21(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethylpropanoyloxymethyl 3,3-dimethyl-7-oxo-6-(2-oxopropyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1CCCN1C(=O)C(CCCN=C(N)N[N+](=O)[O-])N

DOS

IR

Vibrations