Geometry & MOs

Info

ID:	449312
PubChem CID:	135297552
Reduced:	F2O2N5H25C26 (1)
Stoich.:	A2B2C5D25E26 (1)
Weight, g/mol:	209.072179
ΔH_f, kcal/mol:	-51.73
Dipole, Da:	6.59
IP(EA), eV:	-9.83(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(hydroxymethyl)oxetan-3-yl]propane-2-sulfonamide

Drug info:

PubChemData

Smile

CCC1CC(C2=NN=C(C=C12)C3=C(C=CC=C3F)F)(C)C4=NC(=NC=C4)C5=NC(=CO5)C(C)(C)O

DOS

IR

Vibrations