Geometry & MOs

Info

ID:	60235
PubChem CID:	26675964
Reduced:	FSN2O4H17C21 (1)
Stoich.:	ABC2D4E17F21 (1)
Weight, g/mol:	438.108579
ΔH_f, kcal/mol:	-57.43
Dipole, Da:	5.13
IP(EA), eV:	-9.52(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(CC2=NOC(=C2)C3=CC=CO3)S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations