Geometry & MOs

Info

ID:	278158
PubChem CID:	103833756
Reduced:	SN2O3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	295.145344
ΔH_f, kcal/mol:	-93.13
Dipole, Da:	3.87
IP(EA), eV:	-10.19(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(1-hydroxy-4,4-dimethylpentan-3-yl)sulfamoyl]propanoate

Drug info:

PubChemData

Smile

CC(C)(C)C(CCO)NS(=O)(=O)C1=CC=C(C=C1)C#N

DOS

IR

Vibrations