Geometry & MOs

Info

ID:	419733
PubChem CID:	135108916
Reduced:	SN4O4C17H28 (1)
Stoich.:	AB4C4D17E28 (1)
Weight, g/mol:	372.129692
ΔH_f, kcal/mol:	-156.3
Dipole, Da:	5.52
IP(EA), eV:	-9.17(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R)-7-[2-(3,4,5-trifluorophenyl)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]acetic acid

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CCC2=NNC3=C2CCCC3

DOS

IR

Vibrations