Geometry & MOs

Info

ID:	280642
PubChem CID:	103850440
Reduced:	N2S2O3C9H18 (1)
Stoich.:	A2B2C3D9E18 (1)
Weight, g/mol:	234.103814
ΔH_f, kcal/mol:	-112.9
Dipole, Da:	3.67
IP(EA), eV:	-8.93(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide

Drug info:

PubChemData

Smile

CCC(C#N)S(=O)(=O)NCCSCCCO

DOS

IR

Vibrations