Geometry & MOs

Info

ID:	278605
PubChem CID:	103836635
Reduced:	BrNSO3C13H20 (1)
Stoich.:	ABCD3E13F20 (1)
Weight, g/mol:	315.150429
ΔH_f, kcal/mol:	-129.44
Dipole, Da:	6.55
IP(EA), eV:	-8.81(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)NCC(C)(C)CCO)Br

DOS

IR

Vibrations