Geometry & MOs

Info

ID:	229694
PubChem CID:	87568497
Reduced:	PSF2N2O6C30H37 (1)
Stoich.:	ABC2D2E6F30G37 (1)
Weight, g/mol:	250.178024
ΔH_f, kcal/mol:	-374.4
Dipole, Da:	4.7
IP(EA), eV:	-9.07(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butane-1,4-diol;butyl 4-hydroxybutanoate

Drug info:

PubChemData

Smile

CCOP(=O)(C(C1=CC=C(C=C1)CC(C(=O)NCCCCC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3)(F)F)OCC

DOS

IR

Vibrations