Geometry & MOs

Info

ID:	445246
PubChem CID:	135265433
Reduced:	N2O6C23H24 (1)
Stoich.:	A2B6C23D24 (1)
Weight, g/mol:	442.156243
ΔH_f, kcal/mol:	-195.23
Dipole, Da:	4.69
IP(EA), eV:	-8.75(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CCC(=O)NC1=C(C=CC(=C1)N(C)C2=CC(=O)OC3=CC=CC=C32)OC

DOS

IR

Vibrations