Geometry & MOs

Info

ID:	278256
PubChem CID:	103834414
Reduced:	SN2O3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	302.093643
ΔH_f, kcal/mol:	-103.53
Dipole, Da:	6.86
IP(EA), eV:	-9.98(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-4-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations