Geometry & MOs

Info

ID:	14801
PubChem CID:	420856
Reduced:	FSO4N5C19H22 (1)
Stoich.:	ABC4D5E19F22 (1)
Weight, g/mol:	435.137654
ΔH_f, kcal/mol:	-132.9
Dipole, Da:	6.75
IP(EA), eV:	-9.17(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]ethoxy]benzenesulfonyl fluoride

Drug info:

PubChemData

Smile

CC1(N=C(N=C(N1C2=CC(=CC=C2)OCCOC3=CC=C(C=C3)S(=O)(=O)F)N)N)C

DOS

IR

Vibrations