Geometry & MOs

Info

ID:	210675
PubChem CID:	80838919
Reduced:	SO2N4C13H16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	298.076743
ΔH_f, kcal/mol:	46.38
Dipole, Da:	5.71
IP(EA), eV:	-8.65(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-N-ethyl-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CN(C)C2=CC(=CC(=C2)NC)[N+](=O)[O-]

DOS

IR

Vibrations