Geometry & MOs

Info

ID:	145807
PubChem CID:	53597429
Reduced:	ClSO2N3C15H18 (1)
Stoich.:	ABC2D3E15F18 (1)
Weight, g/mol:	343.125609
ΔH_f, kcal/mol:	-29.93
Dipole, Da:	6.84
IP(EA), eV:	-9.35(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,2-N-dimethyl-6-[[2-(2,2,2-trifluoroethoxy)phenoxy]methyl]-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)S(=O)(=O)NC2(CC2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations