Geometry & MOs

Info

ID:	43969
PubChem CID:	10322559
Reduced:	NSnO2C22H43 (1)
Stoich.:	ABC2D22E43 (1)
Weight, g/mol:	472.160992
ΔH_f, kcal/mol:	102.86
Dipole, Da:	3.06
IP(EA), eV:	-8.32(-5.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-cyclopentyloxy-4-(difluoromethoxy)-N-(pyridin-3-ylmethyl)anilino]-5-fluorobenzoic acid

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(CCCC)C1=CCCCN1C(=O)OC(C)(C)C

DOS

IR

Vibrations