Geometry & MOs

Info

ID:	200999
PubChem CID:	79472321
Reduced:	OSN2C17H22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	324.09662
ΔH_f, kcal/mol:	8.47
Dipole, Da:	1.84
IP(EA), eV:	-8.66(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-methyl-4-methylsulfonyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,2-diamine

Drug info:

PubChemData

Smile

CN(CCC1=CC=CS1)C(CN)C2=CC3=C(C=C2)OCC3

DOS

IR

Vibrations