Geometry & MOs

Info

ID:	175047
PubChem CID:	75849944
Reduced:	NSO3C20H25 (1)
Stoich.:	ABC3D20E25 (1)
Weight, g/mol:	327.112685
ΔH_f, kcal/mol:	-85.5
Dipole, Da:	5.09
IP(EA), eV:	-9.01(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butylsulfanyl-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide

Drug info:

PubChemData

Smile

CCOCCOC(C)C(=O)N1CCC2=C(C1C3=CC=CC=C3)C=CS2

DOS

IR

Vibrations