Geometry & MOs

Info

ID:	228355
PubChem CID:	87564070
Reduced:	OS2N6C19H20 (1)
Stoich.:	AB2C6D19E20 (1)
Weight, g/mol:	295.083806
ΔH_f, kcal/mol:	88.28
Dipole, Da:	8.76
IP(EA), eV:	-8.65(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-(1H-imidazol-2-yl)ethanesulfonic acid

Drug info:

PubChemData

Smile

C1CCCC(CC1)OC2=NN3C(=NN=C3SC4=CC5=C(C=C4)N=C(S5)N)C=C2

DOS

IR

Vibrations