Geometry & MOs

Info

ID:	201521
PubChem CID:	79551026
Reduced:	SN2O2C12H26 (1)
Stoich.:	AB2C2D12E26 (1)
Weight, g/mol:	306.197714
ΔH_f, kcal/mol:	-110.88
Dipole, Da:	5.81
IP(EA), eV:	-8.85(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminoethyl)-N-(2-methyl-2-methylsulfonylpropyl)heptanamide

Drug info:

PubChemData

Smile

CCC1CN(C(CN1)C)CC(C)(C)S(=O)(=O)C

DOS

IR

Vibrations