Geometry & MOs

Info

ID:	201097
PubChem CID:	79489472
Reduced:	S2N3O3C13H19 (1)
Stoich.:	A2B3C3D13E19 (1)
Weight, g/mol:	361.10527
ΔH_f, kcal/mol:	-65.62
Dipole, Da:	6.18
IP(EA), eV:	-8.91(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromo-4-fluorophenyl)-1,1-diethoxy-N-propylpropan-2-amine

Drug info:

PubChemData

Smile

CN(CCC1=CC=CS1)S(=O)(=O)C2=CN(N=C2)CCCO

DOS

IR

Vibrations