Geometry & MOs

Info

ID:	282157
PubChem CID:	103917584
Reduced:	NOC18H29 (1)
Stoich.:	ABC18D29 (1)
Weight, g/mol:	315.130443
ΔH_f, kcal/mol:	-68.06
Dipole, Da:	3.74
IP(EA), eV:	-8.87(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-4-methylpentan-1-ol

Drug info:

PubChemData

Smile

CC(C)C(CCO)NC1C2=CC=CC=C2CCC1(C)C

DOS

IR

Vibrations