Geometry & MOs

Info

ID:	79637
PubChem CID:	49829804
Reduced:	ClSN2O4H19C20 (1)
Stoich.:	ABC2D4E19F20 (1)
Weight, g/mol:	407.151492
ΔH_f, kcal/mol:	-111.94
Dipole, Da:	4.58
IP(EA), eV:	-9.1(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1,3-dioxo-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-3,3-dimethyl-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(=O)NC(CC(=O)OCC1=C(N=C2C=C(C=CC2=C1)OC)Cl)C3=CC=CS3

DOS

IR

Vibrations