Geometry & MOs

Info

ID:	263203
PubChem CID:	103345642
Reduced:	N3S3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	343.083134
ΔH_f, kcal/mol:	37.39
Dipole, Da:	5.11
IP(EA), eV:	-8.52(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanamine

Drug info:

PubChemData

Smile

CC1C(SC(CS1)C(CC2=CN3C=CSC3=N2)N)C

DOS

IR

Vibrations