Geometry & MOs

Info

ID:	176402
PubChem CID:	76044659
Reduced:	SN2O4H36C39 (1)
Stoich.:	AB2C4D36E39 (1)
Weight, g/mol:	209.085207
ΔH_f, kcal/mol:	-20.67
Dipole, Da:	0.6
IP(EA), eV:	-8.17(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)acetamide

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3N(C2=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)NS(=O)C(C)(C)C

DOS

IR

Vibrations