Geometry & MOs

Info

ID:	26078
PubChem CID:	638022
Reduced:	NO3C17H24 (1)
Stoich.:	AB3C17D24 (1)
Weight, g/mol:	364.109293
ΔH_f, kcal/mol:	-94.8
Dipole, Da:	1.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752554
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

C[NH+]1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)C3=CC=CC=C3

DOS

IR

Vibrations