Geometry & MOs

Info

ID:	406578
PubChem CID:	135078099
Reduced:	NO3H15C18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	486.204239
ΔH_f, kcal/mol:	-16.02
Dipole, Da:	1.44
IP(EA), eV:	-8.61(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-3-[(4S,5S)-2,2-dimethyl-5-(2-trityloxyacetyl)-1,3-dioxolan-4-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/[N+](=C/C2=COC3=C(C2=O)C=C(C=C3)C)/[O-]

DOS

IR

Vibrations