Geometry & MOs

Info

ID:	36541
PubChem CID:	8008129
Reduced:	NF2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	405.05757
ΔH_f, kcal/mol:	-186.35
Dipole, Da:	2.18
IP(EA), eV:	-8.73(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-bromo-5-methoxybenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations