Geometry & MOs

Info

ID:	435431
PubChem CID:	135191461
Reduced:	F3O3N5C23H24 (1)
Stoich.:	A3B3C5D23E24 (1)
Weight, g/mol:	210.035065
ΔH_f, kcal/mol:	-221.42
Dipole, Da:	8.94
IP(EA), eV:	-9.45(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-formylphenyl) 2-sulfanylpropanoate

Drug info:

PubChemData

Smile

C1CCN(C(C1)CNC(=O)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=NC(=O)C(F)(F)F)N

DOS

IR

Vibrations