Geometry & MOs

Info

ID:	414981
PubChem CID:	135087961
Reduced:	SO2N4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	342.194343
ΔH_f, kcal/mol:	-24.89
Dipole, Da:	3.75
IP(EA), eV:	-9.23(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[(4-prop-2-enoxy-3-prop-2-enylphenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)N1CCCC2(C1)CCC3=CN=C(N=C23)C4=CC=CC=C4

DOS

IR

Vibrations