Geometry & MOs

Info

ID:	285484
PubChem CID:	104109418
Reduced:	NSO5C14H21 (1)
Stoich.:	ABC5D14E21 (1)
Weight, g/mol:	302.093643
ΔH_f, kcal/mol:	-212.8
Dipole, Da:	7.26
IP(EA), eV:	-9.93(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxypentan-2-yl)-2-methyl-3-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(C)CC(C)O

DOS

IR

Vibrations