Geometry & MOs

Info

ID:	365294
PubChem CID:	127317656
Reduced:	S2O3N5C16H23 (1)
Stoich.:	A2B3C5D16E23 (1)
Weight, g/mol:	286.179361
ΔH_f, kcal/mol:	-45.45
Dipole, Da:	4.79
IP(EA), eV:	-8.32(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bicyclo[2.2.1]hept-5-enyl-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)NS(=O)(=O)C2=C(SC=C2)C(=O)N3CCC(C3)CN(C)C

DOS

IR

Vibrations