Geometry & MOs

Info

ID:	402335
PubChem CID:	135055550
Reduced:	BrNOH18C22 (1)
Stoich.:	ABCD18E22 (1)
Weight, g/mol:	381.17625
ΔH_f, kcal/mol:	43.01
Dipole, Da:	3.4
IP(EA), eV:	-8.54(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(4-methyl-1-naphthalen-1-ylpentan-2-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](C2=CNC3=C2C=C(C=C3)Br)[C@H](C4=CC=CC=C4)O

DOS

IR

Vibrations