Geometry & MOs

Info

ID:	60889
PubChem CID:	26702891
Reduced:	F2S2N3O3C23H23 (1)
Stoich.:	A2B2C3D3E23F23 (1)
Weight, g/mol:	465.106851
ΔH_f, kcal/mol:	-149.97
Dipole, Da:	5.89
IP(EA), eV:	-9.15(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzamidophenyl) 2-[4-(1,3-dithian-2-yl)phenoxy]acetate

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations