Geometry & MOs

Info

ID:	404988
PubChem CID:	135071998
Reduced:	H9C13 (2)
Stoich.:	A9B13 (2)
Weight, g/mol:	435.132671
ΔH_f, kcal/mol:	150.95
Dipole, Da:	0.5
IP(EA), eV:	-9.04(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(3-phenylsulfanylprop-2-ynyl)-N-(2-propan-2-ylphenyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C#CC1=C(C(=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3C4=CC=CC=C4

DOS

IR

Vibrations