Geometry & MOs

Info

ID:	77104
PubChem CID:	48425807
Reduced:	SO3N4C16H28 (1)
Stoich.:	AB3C4D16E28 (1)
Weight, g/mol:	321.172228
ΔH_f, kcal/mol:	-161.65
Dipole, Da:	2.61
IP(EA), eV:	-9.06(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(butylsulfonylamino)-N-[2-(diethylamino)-2-oxoethyl]propanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2

DOS

IR

Vibrations