Geometry & MOs

Info

ID:	312721
PubChem CID:	126607583
Reduced:	FO2N6C23H25 (1)
Stoich.:	AB2C6D23E25 (1)
Weight, g/mol:	407.155515
ΔH_f, kcal/mol:	-11.57
Dipole, Da:	3.73
IP(EA), eV:	-8.28(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-pentan-2-yl-2-sulfanylidenequinolin-3-yl)phenoxy]methyl prop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)NC1=CN2C(=N1)C=CC(N2)C3=C(N(N=C3C4=CC=C(C=C4)F)C)C5CCOCC5

DOS

IR

Vibrations