Geometry & MOs

Info

ID:	228848
PubChem CID:	87565951
Reduced:	BrPSF2N2O6C30H36 (1)
Stoich.:	ABCD2E2F6G30H36 (1)
Weight, g/mol:	206.090272
ΔH_f, kcal/mol:	-368.04
Dipole, Da:	6.49
IP(EA), eV:	-9.28(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-hydroxybutanediamide;propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations