Geometry & MOs

Info

ID:	46763
PubChem CID:	10527103
Reduced:	SiO3C27H40 (1)
Stoich.:	AB3C27D40 (1)
Weight, g/mol:	440.150285
ΔH_f, kcal/mol:	-161.77
Dipole, Da:	2.44
IP(EA), eV:	-9.17(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (1R,4S)-7-[(4-chlorophenyl)-phenylmethylidene]-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylate

Drug info:

PubChemData

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C[C@H](CO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)[C@H]([C@@H](C)[C@H]([C@H](C)C=C)O)O

DOS

IR

Vibrations