Geometry & MOs

Info

ID:	279718
PubChem CID:	103844808
Reduced:	BrNSO4C14H22 (1)
Stoich.:	ABCD4E14F22 (1)
Weight, g/mol:	316.109293
ΔH_f, kcal/mol:	-159.25
Dipole, Da:	7.21
IP(EA), eV:	-9.63(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-4-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CCC(CC)(CNS(=O)(=O)C1=CC(=C(C=C1)OC)Br)CO

DOS

IR

Vibrations