Geometry & MOs

Info

ID:	399254
PubChem CID:	135039184
Reduced:	OSC13H26 (1)
Stoich.:	ABC13D26 (1)
Weight, g/mol:	255.092915
ΔH_f, kcal/mol:	-105.13
Dipole, Da:	1.74
IP(EA), eV:	-8.7(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-5-hydroxypent-3-enyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCCCC[C@H](CC(=O)C)SC(C)(C)C

DOS

IR

Vibrations