Geometry & MOs

Info

ID:	189565
PubChem CID:	77874236
Reduced:	ClO2N3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	487.141321
ΔH_f, kcal/mol:	-67.13
Dipole, Da:	5.68
IP(EA), eV:	-9.16(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1C(C(NN1)C2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations