Geometry & MOs

Info

ID:	145034
PubChem CID:	53451471
Reduced:	ON2C30H35 (1)
Stoich.:	AB2C30D35 (1)
Weight, g/mol:	385.96511
ΔH_f, kcal/mol:	44.0
Dipole, Da:	10.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.311651
Charge, e:	-1

Chem-info

IUPAC name:

2-bromo-3-methyl-6-[(2,3,3,3-tetrafluoro-2-methoxypropanoyl)amino]benzoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)CC(C[NH+]5CCCCCC5)O

DOS

IR

Vibrations