Geometry & MOs

Info

ID:	270101
PubChem CID:	103628250
Reduced:	SN3O3C13H23 (1)
Stoich.:	AB3C3D13E23 (1)
Weight, g/mol:	283.059776
ΔH_f, kcal/mol:	-109.07
Dipole, Da:	7.06
IP(EA), eV:	-9.25(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-3-fluorophenyl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CCCCOCCNC1=NC=C(C=C1)S(=O)(=O)N(C)C

DOS

IR

Vibrations