Geometry & MOs

Info

ID:	285463
PubChem CID:	104106938
Reduced:	SO2N3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	220.088164
ΔH_f, kcal/mol:	-64.56
Dipole, Da:	4.9
IP(EA), eV:	-9.12(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-(4-hydroxypentan-2-yl)ethanesulfonamide

Drug info:

PubChemData

Smile

CC(CC(C)O)NC(=O)C1=CC2=C(C=C1)N=C(S2)N

DOS

IR

Vibrations