Geometry & MOs

Info

ID:	23429
PubChem CID:	603476
Reduced:	FNO8C18H24 (1)
Stoich.:	ABC8D18E24 (1)
Weight, g/mol:	401.148595
ΔH_f, kcal/mol:	-364.55
Dipole, Da:	10.39
IP(EA), eV:	-8.8(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-acetamido-2-[(2-fluoro-4,5-dimethoxyphenyl)-hydroxymethyl]propanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(C1=CC(=C(C=C1F)OC)OC)O)(C(=O)OCC)NC(=O)C

DOS

IR

Vibrations