Geometry & MOs

Info

ID:	445249
PubChem CID:	135265490
Reduced:	ON7C21H33 (1)
Stoich.:	AB7C21D33 (1)
Weight, g/mol:	455.083887
ΔH_f, kcal/mol:	-12.51
Dipole, Da:	4.93
IP(EA), eV:	-8.07(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] 4-fluorobenzenesulfonate

Drug info:

PubChemData

Smile

CCC([C@@H](C)O)NC1=NC(=C2C(=N1)N(CN2)C(C)C)NCC3=CN=C(C=C3C)C

DOS

IR

Vibrations