Geometry & MOs

Info

ID:	289966
PubChem CID:	104392101
Reduced:	ClSO3N4C11H17 (1)
Stoich.:	ABC3D4E11F17 (1)
Weight, g/mol:	271.225977
ΔH_f, kcal/mol:	-100.24
Dipole, Da:	4.29
IP(EA), eV:	-10.01(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C(C)NS(=O)(=O)C1=CN=C(N=C1)Cl

DOS

IR

Vibrations