Geometry & MOs

Info

ID:	77916
PubChem CID:	49674525
Reduced:	SN3O4C27H27 (1)
Stoich.:	AB3C4D27E27 (1)
Weight, g/mol:	442.152872
ΔH_f, kcal/mol:	-83.0
Dipole, Da:	4.57
IP(EA), eV:	-8.27(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[6-benzamido-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2=CSC3=C2N=CN(C3=O)CC4=CC=C(C=C4)N5CCCC5=O)OCC

DOS

IR

Vibrations