Geometry & MOs

Info

ID:	303712
PubChem CID:	124490088
Reduced:	O3C21H28 (1)
Stoich.:	A3B21C28 (1)
Weight, g/mol:	315.125277
ΔH_f, kcal/mol:	-141.12
Dipole, Da:	9.0
IP(EA), eV:	-9.45(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5R,6R)-6-(butylcarbamoylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)[C@@H]1C[C@H]([C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)CC[C@]34C)C)O

DOS

IR

Vibrations