Geometry & MOs

Info

ID:	171579
PubChem CID:	75397726
Reduced:	BrS2O3N5C14H18 (1)
Stoich.:	AB2C3D5E14F18 (1)
Weight, g/mol:	434.01274
ΔH_f, kcal/mol:	-21.91
Dipole, Da:	6.61
IP(EA), eV:	-9.74(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylquinolin-4-yl)methyl 6-iodo-5-methoxypyridine-2-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)CCCN2C=CN=N2)S(=O)(=O)C3=CC=C(S3)Br

DOS

IR

Vibrations