Geometry & MOs

Info

ID:	149027
PubChem CID:	53788698
Reduced:	FO4N6C27H27 (1)
Stoich.:	AB4C6D27E27 (1)
Weight, g/mol:	512.087392
ΔH_f, kcal/mol:	-104.2
Dipole, Da:	3.33
IP(EA), eV:	-8.86(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[[(4,6-dimethylpyrimidin-2-yl)amino]-[(2-fluorophenyl)sulfonylamino]methylidene]-(2-fluorophenyl)sulfonyl-methoxyazanium

Drug info:

PubChemData

Smile

CC1(COC(OC1)C2=NC(=C(N2)C3=NC(=NC=C3)NC4=CC=CC=C4)C5=CC=C(C=C5)F)C(=O)NCCO

DOS

IR

Vibrations