Geometry & MOs

Info

ID:	69442
PubChem CID:	47171287
Reduced:	BrNO2S2C14H16 (1)
Stoich.:	ABC2D2E14F16 (1)
Weight, g/mol:	290.131366
ΔH_f, kcal/mol:	-47.33
Dipole, Da:	4.64
IP(EA), eV:	-9.09(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,2-N-dimethyl-6-(2-pyridin-2-ylethylsulfanylmethyl)-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)C(C)NS(=O)(=O)C2=CC(=CC=C2)Br

DOS

IR

Vibrations