Geometry & MOs

Info

ID:	189244
PubChem CID:	77831601
Reduced:	N4O9C16H28 (1)
Stoich.:	A4B9C16D28 (1)
Weight, g/mol:	470.187543
ΔH_f, kcal/mol:	-416.72
Dipole, Da:	6.83
IP(EA), eV:	-9.78(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-[benzyl(methyl)carbamoyl]-4-(hydroxymethyl)-3,3-dimethyl-7-oxo-4lambda4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)N(C1C(C(C(C(O1)CO)O)O)NC(=O)C)C(CCC(=O)O)C(=O)N)N

DOS

IR

Vibrations