Geometry & MOs

Info

ID:	414271
PubChem CID:	135087227
Reduced:	ClSN2O3C15H19 (1)
Stoich.:	ABC2D3E15F19 (1)
Weight, g/mol:	356.173607
ΔH_f, kcal/mol:	-121.83
Dipole, Da:	2.02
IP(EA), eV:	-8.84(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3-methoxyphenyl)furan-2-yl]-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone

Drug info:

PubChemData

Smile

CN1C[C@H](C[C@H]1C(=O)O)NC(=O)CSCC2=CC=CC=C2Cl

DOS

IR

Vibrations