Geometry & MOs

Info

ID:	33680
PubChem CID:	7887474
Reduced:	FNSO3H16C19 (1)
Stoich.:	ABCD3E16F19 (1)
Weight, g/mol:	318.090352
ΔH_f, kcal/mol:	-107.27
Dipole, Da:	2.14
IP(EA), eV:	-8.94(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxycarbonylphenyl)methyl 2-fluoro-4-methoxybenzoate

Drug info:

PubChemData

Smile

CCN(C1=CC=C(C=C1)F)C(=O)COC(=O)C2=CC3=CC=CC=C3S2

DOS

IR

Vibrations