Geometry & MOs

Info

ID:	271925
PubChem CID:	103701282
Reduced:	NO2S2C16H23 (1)
Stoich.:	AB2C2D16E23 (1)
Weight, g/mol:	261.014576
ΔH_f, kcal/mol:	-61.89
Dipole, Da:	3.51
IP(EA), eV:	-8.32(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,3-dichlorophenyl)methyl]thiolan-3-amine

Drug info:

PubChemData

Smile

CSC1CCCC1NCC2=CC3=C(C=C2SC)OCCO3

DOS

IR

Vibrations