Geometry & MOs

Info

ID:	180067
PubChem CID:	76571143
Reduced:	FSCl2O4N7C33H38 (1)
Stoich.:	ABC2D4E7F33G38 (1)
Weight, g/mol:	171.089543
ΔH_f, kcal/mol:	-152.74
Dipole, Da:	5.96
IP(EA), eV:	-9.03(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl)propan-1-one

Drug info:

PubChemData

Smile

C1C2C(C(S1)CCCCC(=O)NCCCCCC(=O)NNC(=O)C=CC3=NN(C4=C3C=CC(=C4)F)CC5=C(C=C(C=C5)Cl)Cl)NC(=O)N2

DOS

IR

Vibrations