Geometry & MOs

Info

ID:	418572
PubChem CID:	135105824
Reduced:	SN4O4C15H20 (1)
Stoich.:	AB4C4D15E20 (1)
Weight, g/mol:	370.134028
ΔH_f, kcal/mol:	-105.11
Dipole, Da:	3.66
IP(EA), eV:	-9.1(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-9-[3-(difluoromethoxy)benzoyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]acetic acid

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=NNC3=CC=CC=C32

DOS

IR

Vibrations