Geometry & MOs

Info

ID:	432067
PubChem CID:	135172199
Reduced:	SF3O3N6C24H33 (1)
Stoich.:	AB3C3D6E24F33 (1)
Weight, g/mol:	444.229204
ΔH_f, kcal/mol:	-241.65
Dipole, Da:	11.56
IP(EA), eV:	-9.2(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(6-chloropyridazin-3-yl)amino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCN(CC2)C(=O)NC)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations