Geometry & MOs

Info

ID:	194687
PubChem CID:	78575696
Reduced:	Cl2N2O3C16H18 (1)
Stoich.:	A2B2C3D16E18 (1)
Weight, g/mol:	397.01251
ΔH_f, kcal/mol:	-118.34
Dipole, Da:	3.49
IP(EA), eV:	-9.89(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(2-bromophenyl)ethylamino]-2-oxoethyl] 2,4-difluorobenzoate

Drug info:

PubChemData

Smile

CC(C)C(C)(C#N)NC(=O)COC(=O)CC1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations