Geometry & MOs

Info

ID:	170459
PubChem CID:	75236522
Reduced:	O3C7H12 (3)
Stoich.:	A3B7C12 (3)
Weight, g/mol:	406.156243
ΔH_f, kcal/mol:	-421.74
Dipole, Da:	8.29
IP(EA), eV:	-10.0(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC2(CO2)C(C(C(C(C(=O)OC(C(C(C(C1=O)C)O)(C)O)C(C)O)C)O)C)O

DOS

IR

Vibrations