Geometry & MOs

Info

ID:	176984
PubChem CID:	76122167
Reduced:	S2O6N12C21H24 (1)
Stoich.:	A2B6C12D21E24 (1)
Weight, g/mol:	257.072179
ΔH_f, kcal/mol:	-11.28
Dipole, Da:	7.25
IP(EA), eV:	-9.22(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-hydroxy-3-oxopropan-2-yl)-N,4-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=NN(N=N1)CC2=C(N3C(C(C3=O)N)SC2)C(=O)OCOC(=O)C4=C(CSC5N4C(=O)C5N)CN6N=C(N=N6)C

DOS

IR

Vibrations