Geometry & MOs

Info

ID:	217334
PubChem CID:	85087637
Reduced:	NOSC22H27 (1)
Stoich.:	ABCD22E27 (1)
Weight, g/mol:	353.027785
ΔH_f, kcal/mol:	-22.26
Dipole, Da:	3.58
IP(EA), eV:	-8.64(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-methoxy-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] 3-chlorobenzoate

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1)C(=O)NCC2CCCC2CCC3=CC=CC=C3

DOS

IR

Vibrations