Geometry & MOs

Info

ID:	263206
PubChem CID:	103345842
Reduced:	NOS2C13H23 (1)
Stoich.:	ABC2D13E23 (1)
Weight, g/mol:	321.083276
ΔH_f, kcal/mol:	-51.87
Dipole, Da:	1.57
IP(EA), eV:	-8.5(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine

Drug info:

PubChemData

Smile

CC1C(SC(CS1)C(C2=CCCCO2)NC)C

DOS

IR

Vibrations