Geometry & MOs

Info

ID:	434819
PubChem CID:	135175763
Reduced:	N2O3F6H22C27 (1)
Stoich.:	A2B3C6D22E27 (1)
Weight, g/mol:	420.159769
ΔH_f, kcal/mol:	-357.99
Dipole, Da:	6.34
IP(EA), eV:	-9.35(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclobutylpyrazol-4-yl)-5-[[1-(5-fluoropyridin-2-yl)cyclopropanecarbonyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=CC(=C1)NC(=O)C2(CC2)C3=C(C=C(C=C3)C(F)(F)F)F)C)C4=CN=C(C=C4)C(F)F

DOS

IR

Vibrations