Geometry & MOs

Info

ID:	263209
PubChem CID:	103346028
Reduced:	FNS2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	347.094448
ΔH_f, kcal/mol:	-49.15
Dipole, Da:	4.06
IP(EA), eV:	-8.79(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-3-fluorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethylethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations