Geometry & MOs

Info

ID:	384170
PubChem CID:	134976473
Reduced:	SCl2N2O3H18C28 (1)
Stoich.:	AB2C2D3E18F28 (1)
Weight, g/mol:	494.335587
ΔH_f, kcal/mol:	12.52
Dipole, Da:	4.04
IP(EA), eV:	-8.52(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-tert-butyl 2-O,3-O-diethyl (1S,4R)-4,5,6-tritert-butyl-2,3-diazabicyclo[2.2.0]hex-5-ene-1,2,3-tricarboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC=CN3C(=C2C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C#N

DOS

IR

Vibrations