Geometry & MOs

Info

ID:	126046
PubChem CID:	50949508
Reduced:	SN3O3C16H23 (1)
Stoich.:	AB3C3D16E23 (1)
Weight, g/mol:	341.140927
ΔH_f, kcal/mol:	-103.75
Dipole, Da:	3.72
IP(EA), eV:	-8.42(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2,5-dimethylphenyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanediamide

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=C2N1CCC(=O)NCCN(C)S(=O)(=O)C

DOS

IR

Vibrations