Geometry & MOs

Info

ID:	79669
PubChem CID:	49829924
Reduced:	SN3O3C22H32 (1)
Stoich.:	AB3C3D22E32 (1)
Weight, g/mol:	417.208613
ΔH_f, kcal/mol:	-71.99
Dipole, Da:	7.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.767198
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[methyl(1-phenylethyl)amino]acetamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CNC(=O)C[NH+](C)C(C)C2=CC=CC=C2

DOS

IR

Vibrations