Geometry & MOs

Info

ID:	231805
PubChem CID:	87574689
Reduced:	OSN7C26H29 (1)
Stoich.:	ABC7D26E29 (1)
Weight, g/mol:	239.057592
ΔH_f, kcal/mol:	84.49
Dipole, Da:	4.87
IP(EA), eV:	-8.55(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]ethanesulfonic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)CC=O)N2CCC(CC2)N3C=C(C=N3)C4=CC(=C(N=C4)N)C5=NC6=CC=CC=C6S5

DOS

IR

Vibrations