Geometry & MOs

Info

ID:	189560
PubChem CID:	77873074
Reduced:	BrNO4C11H16 (1)
Stoich.:	ABC4D11E16 (1)
Weight, g/mol:	483.185729
ΔH_f, kcal/mol:	-180.81
Dipole, Da:	5.52
IP(EA), eV:	-10.32(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-2-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-1-[(4-fluoro-3-phenoxyphenyl)methyl]-3,3-dimethylcyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)CC(C)(C)OC(=O)CC1C(C(=O)N1)Br

DOS

IR

Vibrations