Geometry & MOs

Info

ID:	218018
PubChem CID:	85088750
Reduced:	SO3N5H19C21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	421.170935
ΔH_f, kcal/mol:	11.5
Dipole, Da:	7.39
IP(EA), eV:	-8.18(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[tert-butyl(diphenyl)silyl]oxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]acetamide

Drug info:

PubChemData

Smile

CCOC(=C(C#N)C(=C1C(=O)N(C(=NNC2=CC=CC=C2)S1)C3=CC=CC=C3)N)O

DOS

IR

Vibrations