Geometry & MOs

Info

ID:	405649
PubChem CID:	135074760
Reduced:	NOC24H25 (1)
Stoich.:	ABC24D25 (1)
Weight, g/mol:	311.119129
ΔH_f, kcal/mol:	86.95
Dipole, Da:	1.56
IP(EA), eV:	-8.98(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-4-hydroxybut-2-enyl]-4-methyl-N-(4-oxobutyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C#CC(C2=CC=CC=C2)O/N=C\C=C\C3=CC=CC=C3

DOS

IR

Vibrations