Geometry & MOs

Info

ID:	146694
PubChem CID:	53730932
Reduced:	ClNPO5C11H13 (1)
Stoich.:	ABCD5E11F13 (1)
Weight, g/mol:	585.309724
ΔH_f, kcal/mol:	-237.36
Dipole, Da:	3.93
IP(EA), eV:	-8.98(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-[[1-(2-methylpropoxy)-4,6-dioxo-3,3a-dihydro-2H-cyclopenta[b]pyrrol-6a-yl]methyl] 4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carbothioate

Drug info:

PubChemData

Smile

COP(=O)(OC)OC(=CCl)C(=O)NC1=CC=CC=C1

DOS

IR

Vibrations