Geometry & MOs

Info

ID:	447184
PubChem CID:	135281021
Reduced:	BrF2O3C11H17 (1)
Stoich.:	AB2C3D11E17 (1)
Weight, g/mol:	417.113627
ΔH_f, kcal/mol:	-257.8
Dipole, Da:	2.45
IP(EA), eV:	-10.18(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1H-inden-2-yl 2,2-difluoro-2-[[3-(1,3-oxazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetate

Drug info:

PubChemData

Smile

CC1(CC(CC(O1)(C)C)OC(=O)C(F)(F)Br)C

DOS

IR

Vibrations