Geometry & MOs

Info

ID:	67916
PubChem CID:	46507419
Reduced:	SN3O3H25C27 (1)
Stoich.:	AB3C3D25E27 (1)
Weight, g/mol:	338.090272
ΔH_f, kcal/mol:	-15.86
Dipole, Da:	3.82
IP(EA), eV:	-8.83(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(6-nitro-2-phenylquinolin-4-yl)oxyacetate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NC(=C(O2)C)CSC3=NC4=C(C(=O)N3C5CCCC5)OC6=CC=CC=C64

DOS

IR

Vibrations