Geometry & MOs

Info

ID:	211022
PubChem CID:	80884290
Reduced:	SO2N4C13H14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	302.020451
ΔH_f, kcal/mol:	45.95
Dipole, Da:	4.65
IP(EA), eV:	-8.93(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(2,5-difluorophenyl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)C)SC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations