Geometry & MOs

Info

ID:	207053
PubChem CID:	80339179
Reduced:	SN2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	266.068926
ΔH_f, kcal/mol:	27.12
Dipole, Da:	3.55
IP(EA), eV:	-8.69(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,4-difluorophenyl)sulfanylpyridin-4-yl]ethanamine

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=NC=C1)SC2=CC=C(C=C2)C(C)(C)C)N

DOS

IR

Vibrations