Geometry & MOs

Info

ID:	37185
PubChem CID:	8018051
Reduced:	ClO3N5C19H22 (1)
Stoich.:	AB3C5D19E22 (1)
Weight, g/mol:	259.041149
ΔH_f, kcal/mol:	-86.73
Dipole, Da:	2.27
IP(EA), eV:	-9.34(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(methylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate

Drug info:

PubChemData

Smile

C[C@@H](CCC1=CC=CC=C1)NC(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

DOS

IR

Vibrations