Geometry & MOs

Info

ID:	139657
PubChem CID:	52575515
Reduced:	BrON2C19H23 (1)
Stoich.:	ABC2D19E23 (1)
Weight, g/mol:	302.153838
ΔH_f, kcal/mol:	-17.43
Dipole, Da:	4.14
IP(EA), eV:	-9.12(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-2-(dimethylsulfamoylamino)-1-(3-methoxyphenyl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN(C)C(=O)N[C@H](C)C2=CC(=CC=C2)Br

DOS

IR

Vibrations