Geometry & MOs

Info

ID:	404910
PubChem CID:	135071703
Reduced:	NSO2C22H23 (1)
Stoich.:	ABC2D22E23 (1)
Weight, g/mol:	303.1293
ΔH_f, kcal/mol:	32.98
Dipole, Da:	5.25
IP(EA), eV:	-9.3(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-but-2-ynyl-4-methyl-N-(4-methylpent-2-ynyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC#CC2=CC=CC=C2)CC#CC(C)C

DOS

IR

Vibrations