Geometry & MOs

Info

ID:	281559
PubChem CID:	103914044
Reduced:	ON3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	309.114713
ΔH_f, kcal/mol:	-57.68
Dipole, Da:	5.33
IP(EA), eV:	-9.53(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-cyanophenyl)sulfonylethylamino]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCCCC(C)(C)C#N

DOS

IR

Vibrations