Geometry & MOs

Info

ID:	388772
PubChem CID:	134990160
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	490.086843
ΔH_f, kcal/mol:	6.51
Dipole, Da:	5.97
IP(EA), eV:	-10.66(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R,6S)-6-methoxy-3,3-dimethyl-7-oxo-6-[(3-oxo-3-phenoxy-2-thiophen-3-ylpropanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)CCC(CC)(C#N)C1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations