Geometry & MOs

Info

ID:	278596
PubChem CID:	103836619
Reduced:	SN2O3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	302.093643
ΔH_f, kcal/mol:	-99.13
Dipole, Da:	6.78
IP(EA), eV:	-10.19(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-2,2-dimethylbutyl)-4-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C#N)S(=O)(=O)NCC(C)(C)CCO

DOS

IR

Vibrations