Geometry & MOs

Info

ID:	29045
PubChem CID:	831308
Reduced:	ClOSN2H11C15 (1)
Stoich.:	ABCD2E11F15 (1)
Weight, g/mol:	329.106336
ΔH_f, kcal/mol:	52.18
Dipole, Da:	5.61
IP(EA), eV:	-8.75(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(morpholine-4-carbonyl)phenyl] 4-fluorobenzoate

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1=CC2=CC=CS2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations