Geometry & MOs

Info

ID:	394640
PubChem CID:	135023371
Reduced:	NSO3C19H25 (1)
Stoich.:	ABC3D19E25 (1)
Weight, g/mol:	318.201507
ΔH_f, kcal/mol:	-50.05
Dipole, Da:	6.04
IP(EA), eV:	-9.62(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[tert-butyl(dimethyl)silyl]oxy-1,2,3,3a,4,6,7,8-octahydrocyclopenta[g]azulen-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC#C)[C@@H](C)C(CC=C)(CC=C)O

DOS

IR

Vibrations