Geometry & MOs

Info

ID:	229771
PubChem CID:	87568899
Reduced:	ClO2F4N9H18C24 (1)
Stoich.:	AB2C4D9E18F24 (1)
Weight, g/mol:	573.345424
ΔH_f, kcal/mol:	-94.25
Dipole, Da:	5.28
IP(EA), eV:	-9.06(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(benzhydrylideneamino)-4-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-5-methylhexanoate

Drug info:

PubChemData

Smile

C1CN(C[C@H]1[C@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3)C5=C(C=C(C(=N5)Cl)C#N)F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations