Geometry & MOs

Info

ID:	144512
PubChem CID:	53379799
Reduced:	FSN3O3H20C22 (1)
Stoich.:	ABC3D3E20F22 (1)
Weight, g/mol:	421.146013
ΔH_f, kcal/mol:	-82.88
Dipole, Da:	8.25
IP(EA), eV:	-9.38(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-ethyl 2-[4-[2-(aminomethyl)-5-(pyridin-4-ylcarbamoyl)phenyl]phenoxy]ethanethioate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)NC2=CC=NC=C2)C3=C(C(=CC=C3)OCC(=O)SCF)CN

DOS

IR

Vibrations