Geometry & MOs

Info

ID:	194686
PubChem CID:	78575695
Reduced:	NCl2F2O3H15C18 (1)
Stoich.:	AB2C2D3E15F18 (1)
Weight, g/mol:	356.069448
ΔH_f, kcal/mol:	-203.61
Dipole, Da:	3.58
IP(EA), eV:	-9.62(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)F)F)NC(=O)COC(=O)CC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations