Geometry & MOs

Info

ID:	31465
PubChem CID:	855753
Reduced:	SN3O4C15H15 (1)
Stoich.:	AB3C4D15E15 (1)
Weight, g/mol:	309.08235
ΔH_f, kcal/mol:	-127.38
Dipole, Da:	4.41
IP(EA), eV:	-9.36(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-benzylquinolin-2-yl)sulfanylacetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CC(=O)N2

DOS

IR

Vibrations