Geometry & MOs

Info

ID:	47115
PubChem CID:	10529704
Reduced:	FN2O4H27C31 (1)
Stoich.:	AB2C4D27E31 (1)
Weight, g/mol:	510.157306
ΔH_f, kcal/mol:	-76.19
Dipole, Da:	2.56
IP(EA), eV:	-8.93(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-[(E)-3-(benzylamino)-3-oxoprop-1-enyl]phenoxy]carbonylphenyl]-(diaminomethylidene)azanium;methanesulfonate

Drug info:

PubChemData

Smile

C1CCC(CC1)C(C2=CC=C(C=C2)OCC3=NC4=C(C=C3)C=C(C=C4)F)ON5C(=O)C6=CC=CC=C6C5=O

DOS

IR

Vibrations