Geometry & MOs

Info

ID:	406287
PubChem CID:	135077125
Reduced:	N3O3F4H13C21 (1)
Stoich.:	A3B3C4D13E21 (1)
Weight, g/mol:	274.02046
ΔH_f, kcal/mol:	-188.34
Dipole, Da:	9.0
IP(EA), eV:	-9.95(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,6S)-6-(2-bromocyclohexen-1-yl)oxy-3,6-dihydro-2H-pyran-3-ol

Drug info:

PubChemData

Smile

C1CC1(CCN2C(=O)C3=CC=CC=C3C2=O)C(=O)NC4=C(C(=C(C(=C4F)F)C#N)F)F

DOS

IR

Vibrations