Geometry & MOs

Info

ID:	33178
PubChem CID:	7885277
Reduced:	NCl2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	349.088099
ΔH_f, kcal/mol:	-114.46
Dipole, Da:	3.88
IP(EA), eV:	-9.54(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-6-fluorophenyl)methyl 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC2=C(C=C(C=C2)Cl)Cl)C

DOS

IR

Vibrations