Geometry & MOs

Info

ID:	343087
PubChem CID:	127266260
Reduced:	SN3O3C13H17 (1)
Stoich.:	AB3C3D13E17 (1)
Weight, g/mol:	349.182398
ΔH_f, kcal/mol:	-71.46
Dipole, Da:	6.09
IP(EA), eV:	-9.76(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-(3-ethynylphenyl)-3-(4-methylpiperazin-1-yl)propane-1-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)S(=O)(=O)NC(C)C2=CC=NN2

DOS

IR

Vibrations