Geometry & MOs

Info

ID:	263207
PubChem CID:	103345858
Reduced:	NS2F3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	316.083469
ΔH_f, kcal/mol:	-129.19
Dipole, Da:	1.74
IP(EA), eV:	-8.73(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloropyridin-4-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine

Drug info:

PubChemData

Smile

CC1C(SC(CS1)C(C2=C(C(=C(C=C2)F)F)F)NC)C

DOS

IR

Vibrations