Geometry & MOs

Info

ID:	56558
PubChem CID:	17436303
Reduced:	ON6H22C24 (1)
Stoich.:	AB6C22D24 (1)
Weight, g/mol:	479.108582
ΔH_f, kcal/mol:	79.55
Dipole, Da:	1.4
IP(EA), eV:	-8.91(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylimidazol-2-yl)-[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylquinolin-4-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations