Geometry & MOs

Info

ID:	397405
PubChem CID:	135030174
Reduced:	FON2H13C15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	422.01222
ΔH_f, kcal/mol:	-8.04
Dipole, Da:	6.8
IP(EA), eV:	-9.03(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromoquinolin-6-yl)sulfanyl-N-(2-methylpent-3-yn-2-yl)-2-methylsulfanylacetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=C(C=C(C=C2)C#N)F)CN

DOS

IR

Vibrations