Geometry & MOs

Info

ID:	434827
PubChem CID:	135175796
Reduced:	N2O4F7H15C24 (1)
Stoich.:	A2B4C7D15E24 (1)
Weight, g/mol:	453.125547
ΔH_f, kcal/mol:	-435.76
Dipole, Da:	10.73
IP(EA), eV:	-9.61(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1(C2=C(C=C(C=C2)OC(F)(F)F)F)C(=O)NC3=CC(=C(C=C3)C4=CN=C(C=C4)C(F)(F)F)C(=O)O

DOS

IR

Vibrations