Geometry & MOs

Info

ID:	414075
PubChem CID:	135087029
Reduced:	NSO2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	301.077265
ΔH_f, kcal/mol:	15.58
Dipole, Da:	4.73
IP(EA), eV:	-8.4(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methoxyphenyl)ethynyl]-N-phenylmethanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C#CN(C2=CC=CC=C2)S(=O)(=O)C

DOS

IR

Vibrations