Geometry & MOs

Info

ID:	323189
PubChem CID:	126673354
Reduced:	F2S2O3N4C21H30 (1)
Stoich.:	A2B2C3D4E21F30 (1)
Weight, g/mol:	428.209993
ΔH_f, kcal/mol:	-217.69
Dipole, Da:	2.16
IP(EA), eV:	-8.63(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[4-(2-phenyl-4-phenyliminoazetidin-1-yl)phenoxy]acetate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CN=C(O1)CSC2=CN=C(S2)NC3CC(CN(C3)C(=O)OC(C)(C)C)(F)F

DOS

IR

Vibrations