Geometry & MOs

Info

ID:	383224
PubChem CID:	134974836
Reduced:	O3N4C7H12 (1)
Stoich.:	A3B4C7D12 (1)
Weight, g/mol:	523.218115
ΔH_f, kcal/mol:	-96.18
Dipole, Da:	3.76
IP(EA), eV:	-10.22(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9S,10S)-1,9-dibenzyl-10-methyl-11-(4-methylphenyl)sulfonyl-13-oxa-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene

Drug info:

PubChemData

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C[C@@H]([C@H](N1C=NC(=NC1=O)N)OC)O

DOS

IR

Vibrations