Geometry & MOs

Info

ID:	171511
PubChem CID:	75385175
Reduced:	ON4C18H18 (1)
Stoich.:	AB4C18D18 (1)
Weight, g/mol:	325.11365
ΔH_f, kcal/mol:	61.11
Dipole, Da:	2.91
IP(EA), eV:	-8.5(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isothiochromene-1-carboxamide

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2)CNC3=CC=CC=C3CN4C=NC=N4

DOS

IR

Vibrations