Geometry & MOs

Info

ID:	431786
PubChem CID:	135171892
Reduced:	SF3O4N5C27H38 (1)
Stoich.:	AB3C4D5E27F38 (1)
Weight, g/mol:	458.244854
ΔH_f, kcal/mol:	-309.65
Dipole, Da:	7.95
IP(EA), eV:	-8.87(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[(6-chloropyridazin-3-yl)amino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations