Geometry & MOs

Info

ID:	60238
PubChem CID:	26675967
Reduced:	SN2F3O4H17C22 (1)
Stoich.:	AB2C3D4E17F22 (1)
Weight, g/mol:	472.069607
ΔH_f, kcal/mol:	-163.88
Dipole, Da:	6.74
IP(EA), eV:	-9.27(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-chloro-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=CC=C4C(F)(F)F

DOS

IR

Vibrations