Geometry & MOs

Info

ID:

36573

PubChem CID:

8009036

Reduced:

SN3O4C19H30 (1)

Stoich.:

AB3C4D19E30 (1)

Weight, g/mol:

238.077599

ΔHf, kcal/mol:

-124.89

Dipole, Da:

1.93

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.752762

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-4-cyanobenzenesulfonamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CCO

DOS

IR

Vibrations