Geometry & MOs

Info

ID:	396046
PubChem CID:	135027273
Reduced:	NO4H17C19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	368.238286
ΔH_f, kcal/mol:	-27.05
Dipole, Da:	6.56
IP(EA), eV:	-9.72(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol

Drug info:

PubChemData

Smile

C[C@@](C[N+](=O)[O-])(C1=CC=CC=C1)C2=C(OCC2=O)C3=CC=CC=C3

DOS

IR

Vibrations