Geometry & MOs

Info

ID:	194462
PubChem CID:	78540557
Reduced:	FNSO6H16C18 (1)
Stoich.:	ABCD6E16F18 (1)
Weight, g/mol:	338.131823
ΔH_f, kcal/mol:	-243.23
Dipole, Da:	6.97
IP(EA), eV:	-9.11(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 3-(3-fluorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC(=O)C1=C(SC(=C1COC(=O)C=CC2=CC(=CC=C2)F)C(=O)OC)N

DOS

IR

Vibrations