Geometry & MOs

Info

ID:	135932
PubChem CID:	51957057
Reduced:	S2N4O5C18H26 (1)
Stoich.:	A2B4C5D18E26 (1)
Weight, g/mol:	442.134462
ΔH_f, kcal/mol:	-142.55
Dipole, Da:	8.59
IP(EA), eV:	-9.59(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N,4-N-diethyl-1-N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]benzene-1,4-disulfonamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CN(N=C2)C[C@@H]3CCCO3

DOS

IR

Vibrations