Geometry & MOs

Info

ID:	278538
PubChem CID:	103836435
Reduced:	BrNSO3C14H22 (1)
Stoich.:	ABCD3E14F22 (1)
Weight, g/mol:	316.109293
ΔH_f, kcal/mol:	-130.25
Dipole, Da:	5.69
IP(EA), eV:	-10.02(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-hydroxyethyl)pentyl]-4-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CCCC(CCO)CNS(=O)(=O)C1=CC(=C(C=C1)Br)C

DOS

IR

Vibrations