Geometry & MOs

Info

ID:	36812
PubChem CID:	8013187
Reduced:	SN2O3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	350.116566
ΔH_f, kcal/mol:	-63.49
Dipole, Da:	5.65
IP(EA), eV:	-8.91(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-fluoro-2-methoxyphenyl)methyl 3,4,5-trimethoxybenzoate

Drug info:

PubChemData

Smile

C[C@@H]1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=CC=C(C=C3)OC

DOS

IR

Vibrations