Geometry & MOs

Info

ID:	441604
PubChem CID:	135236947
Reduced:	ClFS3N4O5H26C29 (1)
Stoich.:	ABC3D4E5F26G29 (1)
Weight, g/mol:	492.345089
ΔH_f, kcal/mol:	-119.37
Dipole, Da:	6.76
IP(EA), eV:	-8.95(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(2-ethylhexyl) 2-[(4-hydroxy-3-propoxyphenyl)methyl]propanedioate

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl)C#N)NS(=O)(=O)CC5CCSS5=O

DOS

IR

Vibrations