Geometry & MOs

Info

ID:	361429
PubChem CID:	127303408
Reduced:	N3O3C16H27 (1)
Stoich.:	A3B3C16D27 (1)
Weight, g/mol:	337.134779
ΔH_f, kcal/mol:	-125.92
Dipole, Da:	2.07
IP(EA), eV:	-8.75(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-3-(oxan-2-yl)propanamide

Drug info:

PubChemData

Smile

C1CC(OC1)C(=O)N2CCN(CC2)CCC(=O)NCC3CC3

DOS

IR

Vibrations