Geometry & MOs

Info

ID:	446663
PubChem CID:	135276771
Reduced:	ClOSN4H11C17 (1)
Stoich.:	ABCD4E11F17 (1)
Weight, g/mol:	261.064688
ΔH_f, kcal/mol:	86.02
Dipole, Da:	5.79
IP(EA), eV:	-9.01(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;3-(hydroxymethyl)aziridin-2-one;pentane-1-sulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=C(C(=O)N(N=C2)C3=NC4=CC=CC=C4S3)Cl

DOS

IR

Vibrations