Geometry & MOs

Info

ID:	147181
PubChem CID:	53786835
Reduced:	NO3C6H11 (1)
Stoich.:	AB3C6D11 (1)
Weight, g/mol:	582.105664
ΔH_f, kcal/mol:	-133.1
Dipole, Da:	1.26
IP(EA), eV:	-9.89(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R,6R)-6-[[2-[(7-hydroxy-8-nitro-4-oxochromene-3-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H](C=O)NC(=O)C(C)O

DOS

IR

Vibrations