Geometry & MOs

Info

ID:	72402
PubChem CID:	48416135
Reduced:	NF2O4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	347.119129
ΔH_f, kcal/mol:	-228.32
Dipole, Da:	3.78
IP(EA), eV:	-8.72(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-(thiophene-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=C(C=CC(=C2)F)F)C(=O)OC

DOS

IR

Vibrations