Geometry & MOs

Info

ID:	205943
PubChem CID:	80181229
Reduced:	BrSN2O2C12H17 (1)
Stoich.:	ABC2D2E12F17 (1)
Weight, g/mol:	282.140199
ΔH_f, kcal/mol:	-70.05
Dipole, Da:	6.0
IP(EA), eV:	-9.26(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,3-dimethylpyrrolidin-1-yl)sulfonyl-2,4-dimethylaniline

Drug info:

PubChemData

Smile

CC1(CCN(C1)S(=O)(=O)C2=C(C=C(C=C2)N)Br)C

DOS

IR

Vibrations