Geometry & MOs

Info

ID:	146455
PubChem CID:	53692130
Reduced:	ON3H7C10 (1)
Stoich.:	AB3C7D10 (1)
Weight, g/mol:	552.204256
ΔH_f, kcal/mol:	76.17
Dipole, Da:	4.65
IP(EA), eV:	-8.9(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[2-phenyl-2-[[3-phenyl-2-(propanoylamino)propanoyl]amino]acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N3C=NC=C3C=[N+]2[O-]

DOS

IR

Vibrations