Geometry & MOs

Info

ID:	128292
PubChem CID:	51037768
Reduced:	FN5O5C31H42 (1)
Stoich.:	AB5C5D31E42 (1)
Weight, g/mol:	565.210738
ΔH_f, kcal/mol:	-249.93
Dipole, Da:	6.78
IP(EA), eV:	-8.96(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1(CC2=C(C(=O)C1)C3=C(N2C4=CC(=C(C(=C4)F)C(=O)N)NC5CCC(CC5)OC(=O)[C@H](CCCCN)N)COC3)C

DOS

IR

Vibrations