Geometry & MOs

Info

ID:	203593
PubChem CID:	79850086
Reduced:	SN3O3C13H21 (1)
Stoich.:	AB3C3D13E21 (1)
Weight, g/mol:	250.171499
ΔH_f, kcal/mol:	-115.65
Dipole, Da:	6.78
IP(EA), eV:	-8.85(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-methyl-N-(2-methylpropyl)-N'-(2-methylsulfonylethyl)propane-1,3-diamine

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC(=C(C=C1)N)N(C)CCS(=O)(=O)C

DOS

IR

Vibrations