Geometry & MOs

Info

ID:	406654
PubChem CID:	135078255
Reduced:	NSO2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	339.1293
ΔH_f, kcal/mol:	18.28
Dipole, Da:	6.15
IP(EA), eV:	-9.71(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-but-2-ynyl-4-methyl-N-[(1S)-1-phenylprop-2-enyl]benzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations