Geometry & MOs

Info

ID:	354324
PubChem CID:	127286450
Reduced:	O2N4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	391.156577
ΔH_f, kcal/mol:	-88.31
Dipole, Da:	4.9
IP(EA), eV:	-8.64(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCN1CCCC(C1)CNC(=O)NC2CCN(CC2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations