Geometry & MOs

Info

ID:	421304
PubChem CID:	135115755
Reduced:	FN2O3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	332.10062
ΔH_f, kcal/mol:	-121.94
Dipole, Da:	4.11
IP(EA), eV:	-9.51(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-(2,6-difluorophenyl)sulfonyl-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)CC(=O)N2C[C@H]([C@H](C2)O)CC3=CC(=NO3)C

DOS

IR

Vibrations