Geometry & MOs

Info

ID:	413404
PubChem CID:	135086353
Reduced:	NSO2C20H21 (1)
Stoich.:	ABC2D20E21 (1)
Weight, g/mol:	464.259416
ΔH_f, kcal/mol:	9.09
Dipole, Da:	6.67
IP(EA), eV:	-8.68(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-9-ethenyl-4-[(2R,4S)-5-hydroxy-2,4-dimethylpentanoyl]-11-methyl-8-triethylsilyloxy-2,6-dioxatricyclo[5.2.2.01,5]undec-4-en-3-one

Drug info:

PubChemData

Smile

CCCN(C#C/C=C/C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations