Geometry & MOs

Info

ID:	59329
PubChem CID:	24781086
Reduced:	NSeC8H15 (1)
Stoich.:	ABC8D15 (1)
Weight, g/mol:	346.164105
ΔH_f, kcal/mol:	-4.57
Dipole, Da:	7.32
IP(EA), eV:	-7.62(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-7-(3-aminopropyl)-10-(3-hydroxypropylamino)-11-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1,3,8(12),9-tetraene-6-carboxylic acid

Drug info:

PubChemData

Smile

CCCC(=[Se])N1CCCC1

DOS

IR

Vibrations