Geometry & MOs

Info

ID:	31312
PubChem CID:	855562
Reduced:	NSO2H19C20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	323.098
ΔH_f, kcal/mol:	-26.68
Dipole, Da:	2.34
IP(EA), eV:	-8.74(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-benzylquinolin-2-yl)sulfanylacetate

Drug info:

PubChemData

Smile

CCOC(=O)CSC1=NC2=CC=CC=C2C=C1CC3=CC=CC=C3

DOS

IR

Vibrations