Geometry & MOs

Info

ID:	194461
PubChem CID:	78540549
Reduced:	FN2O4H15C17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	393.068237
ΔH_f, kcal/mol:	-145.86
Dipole, Da:	5.37
IP(EA), eV:	-9.35(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-amino-3-[3-(3-fluorophenyl)prop-2-enoyloxymethyl]thiophene-2,4-dicarboxylate

Drug info:

PubChemData

Smile

CN1C=CC=C1C(=O)NC(=O)COC(=O)C=CC2=CC(=CC=C2)F

DOS

IR

Vibrations