Geometry & MOs

Info

ID:	415992
PubChem CID:	135088997
Reduced:	SN2O7C17H22 (1)
Stoich.:	AB2C7D17E22 (1)
Weight, g/mol:	377.187005
ΔH_f, kcal/mol:	-276.69
Dipole, Da:	1.86
IP(EA), eV:	-9.53(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5R)-9-[(2-chlorophenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-piperidin-4-ylmethanone

Drug info:

PubChemData

Smile

CCC[C@@]1(CN(CC[C@@H]1O)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3)C(=O)O

DOS

IR

Vibrations