Geometry & MOs

Info

ID:	423019
PubChem CID:	135118770
Reduced:	ON4C19H30 (1)
Stoich.:	AB4C19D30 (1)
Weight, g/mol:	352.145678
ΔH_f, kcal/mol:	-31.33
Dipole, Da:	6.08
IP(EA), eV:	-8.74(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-9-methyl-7-(2,4,6-trimethylphenyl)sulfonyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CN=C(C=C1)NCC2CCN(C2)C3CCCCC3

DOS

IR

Vibrations