Geometry & MOs

Info

ID:	147917
PubChem CID:	53787577
Reduced:	ClS2N3O6C23H28 (1)
Stoich.:	AB2C3D6E23F28 (1)
Weight, g/mol:	324.147393
ΔH_f, kcal/mol:	-220.42
Dipole, Da:	14.51
IP(EA), eV:	-8.26(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-phenoxypyridin-2-yl)prop-2-ynyl 2-amino-3-methylbutanoate

Drug info:

PubChemData

Smile

CCCNC(=S)NS(=O)(=O)C1=C(C=C2C(=C1)C(CCO2)CNC(=O)C3=C(C=CC(=C3)Cl)OC)OC

DOS

IR

Vibrations