Geometry & MOs

Info

ID:	231570
PubChem CID:	87574159
Reduced:	BO4H5F6C10 (1)
Stoich.:	AB4C5D6E10 (1)
Weight, g/mol:	431.161184
ΔH_f, kcal/mol:	-497.51
Dipole, Da:	5.54
IP(EA), eV:	-11.12(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-chloro-5-[[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methylamino]pyridin-3-yl]benzoic acid

Drug info:

PubChemData

Smile

B(C1=C(C=CC=C1C(=O)C(F)(F)F)C(=O)C(F)(F)F)(O)O

DOS

IR

Vibrations