Geometry & MOs

Info

ID:	141647
PubChem CID:	52908157
Reduced:	SN2F3O4C10H11 (1)
Stoich.:	AB2C3D4E10F11 (1)
Weight, g/mol:	287.0321
ΔH_f, kcal/mol:	-302.85
Dipole, Da:	2.47
IP(EA), eV:	-9.5(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-(3-bromo-5-fluoropyridin-4-yl)-cyclohexylmethanol

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CSC(=N1)NC(=O)OCC(F)(F)F

DOS

IR

Vibrations