Geometry & MOs

Info

ID:

230997

PubChem CID:

87572418

Reduced:

ON5C27H34 (1)

Stoich.:

AB5C27D34 (1)

Weight, g/mol:

194.072513

ΔHf, kcal/mol:

67.33

Dipole, Da:

6.78

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755124

Charge, e:

 0

Chem-info

IUPAC name:

3-(propylsulfamoyl)propanamide

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C(=O)C[N+]3(CCNCC3)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N

DOS

IR

Vibrations