Geometry & MOs

Info

ID:	184705
PubChem CID:	77195025
Reduced:	O2S2F3N4C23H23 (1)
Stoich.:	A2B2C3D4E23F23 (1)
Weight, g/mol:	387.12288
ΔH_f, kcal/mol:	-144.22
Dipole, Da:	4.19
IP(EA), eV:	-9.24(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-[(4-aminopiperidin-1-yl)methyl]-1,4,9-triazatricyclo[7.3.1.05,13]trideca-3,5(13),6-triene-2,8-dione;dihydrochloride

Drug info:

PubChemData

Smile

CC1CN(CC(N1C(=O)C2=NC=CS2)C)C3CN(C3)C(=O)C4=CC5=C(S4)C=C(C=C5)C(F)(F)F

DOS

IR

Vibrations