Geometry & MOs

Info

ID:	162991
PubChem CID:	57581248
Reduced:	N2O5H28C32 (1)
Stoich.:	A2B5C28D32 (1)
Weight, g/mol:	542.205301
ΔH_f, kcal/mol:	-119.62
Dipole, Da:	6.12
IP(EA), eV:	-9.16(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-[[4-(3,4-diethoxyphenyl)-4-oxobutanoyl]amino]quinolin-4-yl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2)C(=O)CCC(=O)NC3=CC(=CC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)CCC(=O)O

DOS

IR

Vibrations