Geometry & MOs

Info

ID:	360368
PubChem CID:	127301013
Reduced:	O3N6C20H20 (1)
Stoich.:	A3B6C20D20 (1)
Weight, g/mol:	392.167083
ΔH_f, kcal/mol:	-23.47
Dipole, Da:	7.21
IP(EA), eV:	-9.13(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,5-dimethyl-4H-benzo[g][1]benzothiol-2-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CN2C(=O)CN3C4=CC=CC=C4C=C3C2=O)N5C=NC=N5

DOS

IR

Vibrations