Geometry & MOs

Info

ID:	19854
PubChem CID:	574129
Reduced:	N2O3F4C12H12 (1)
Stoich.:	A2B3C4D12E12 (1)
Weight, g/mol:	308.078405
ΔH_f, kcal/mol:	-315.31
Dipole, Da:	5.49
IP(EA), eV:	-9.28(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3,3,3-trifluoro-2-[(4-fluorophenyl)carbamoylamino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(F)(F)F)NC(=O)NC1=CC=C(C=C1)F

DOS

IR

Vibrations