Geometry & MOs

Info

ID:	381102
PubChem CID:	134971745
Reduced:	N4O6C31H40 (1)
Stoich.:	A4B6C31D40 (1)
Weight, g/mol:	272.09094
ΔH_f, kcal/mol:	-240.58
Dipole, Da:	3.67
IP(EA), eV:	-8.95(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(5S,7S)-2-dioxidoazaniumylidene-5-methyl-1,4-diazabicyclo[3.2.0]hept-3-en-7-yl]oxy]benzonitrilium

Drug info:

PubChemData

Smile

CCOC(=O)CNC(=O)[C@@H]1CCCCNCCCC[C@@H](C(=O)N1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations