Geometry & MOs

Info

ID:	404909
PubChem CID:	135071702
Reduced:	BrNOH22C24 (1)
Stoich.:	ABCD22E24 (1)
Weight, g/mol:	365.14495
ΔH_f, kcal/mol:	42.55
Dipole, Da:	4.22
IP(EA), eV:	-9.3(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(4-methylpent-2-ynyl)-N-(3-phenylprop-2-ynyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C=CCC(C1=CC=CC=C1)C(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3Br

DOS

IR

Vibrations