Geometry & MOs

Info

ID:	417847
PubChem CID:	135102906
Reduced:	NO3C9H10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	310.135114
ΔH_f, kcal/mol:	-198.6
Dipole, Da:	4.89
IP(EA), eV:	-9.9(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-benzylsulfonyl-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane

Drug info:

PubChemData

Smile

C1CN(C[C@@H]([C@@]1(CC2=CC=CC=C2)C(=O)O)O)CC3=NC(=CO3)C(=O)O

DOS

IR

Vibrations