Geometry & MOs

Info

ID:	61451
PubChem CID:	26709508
Reduced:	SN3O4C27H37 (1)
Stoich.:	AB3C4D27E37 (1)
Weight, g/mol:	408.228717
ΔH_f, kcal/mol:	-134.87
Dipole, Da:	3.16
IP(EA), eV:	-8.61(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)CN3CCCCC3)S(=O)(=O)N4CCCCCC4

DOS

IR

Vibrations