Geometry & MOs

Info

ID:	263210
PubChem CID:	103346111
Reduced:	ClFNS2C16H23 (1)
Stoich.:	ABCD2E16F23 (1)
Weight, g/mol:	391.04393
ΔH_f, kcal/mol:	-60.2
Dipole, Da:	3.63
IP(EA), eV:	-8.81(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(CC1=C(C(=CC=C1)F)Cl)C2CSC(C(S2)C)C

DOS

IR

Vibrations