Geometry & MOs

Info

ID:	379577
PubChem CID:	134447066
Reduced:	SO2N4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	314.115207
ΔH_f, kcal/mol:	-21.18
Dipole, Da:	13.69
IP(EA), eV:	-9.33(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(7,8-difluoro-3,4-dihydro-2H-chromen-6-yl)oxymethyl]cyclohexane-1-thiol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2CCNCC2)/CCCCN3C=NN=C3

DOS

IR

Vibrations