Geometry & MOs

Info

ID:	263208
PubChem CID:	103345889
Reduced:	ClN2S2C14H21 (1)
Stoich.:	AB2C2D14E21 (1)
Weight, g/mol:	299.11777
ΔH_f, kcal/mol:	-0.32
Dipole, Da:	2.69
IP(EA), eV:	-8.67(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5,6-dimethyl-1,4-dithian-2-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1C(SC(CS1)C(CC2=C(C=NC=C2)Cl)NC)C

DOS

IR

Vibrations