Geometry & MOs

Info

ID:	426327
PubChem CID:	135143422
Reduced:	ClOSN2C17H23 (1)
Stoich.:	ABCD2E17F23 (1)
Weight, g/mol:	460.138068
ΔH_f, kcal/mol:	-27.69
Dipole, Da:	2.38
IP(EA), eV:	-8.01(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[(Z)-2-(5-but-3-yn-2-yloxypyrazin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-N'-methyl-1,1-dioxothiolane-2-carboximidamide

Drug info:

PubChemData

Smile

CCC(C1=C(C(=C(C=C1)NCC)N)C)C2=CC(=C(S2)Cl)CO

DOS

IR

Vibrations