Geometry & MOs

Info

ID:	378034
PubChem CID:	134224102
Reduced:	FN2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	366.060505
ΔH_f, kcal/mol:	-13.64
Dipole, Da:	5.01
IP(EA), eV:	-9.63(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[3-(3-chloro-4-fluoroanilino)-1-benzothiophen-2-yl]amino]-ethoxymethanol

Drug info:

PubChemData

Smile

CC(C)C1=CN=CC(=C1)CC(C)C2=CN=C(C=C2)F

DOS

IR

Vibrations