Geometry & MOs

Info

ID:	443662
PubChem CID:	135259695
Reduced:	ClN4O5C27H29 (1)
Stoich.:	AB4C5D27E29 (1)
Weight, g/mol:	465.124609
ΔH_f, kcal/mol:	-176.49
Dipole, Da:	1.6
IP(EA), eV:	-8.96(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]-(4-methylphenyl)methanesulfonic acid

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=C(C=C3)CNC(=O)C4=CC(=C(C=C4)Cl)CCN5CCOCC5

DOS

IR

Vibrations