Geometry & MOs

Info

ID:	325256
PubChem CID:	126682322
Reduced:	F2N2O4C31H36 (1)
Stoich.:	A2B2C4D31E36 (1)
Weight, g/mol:	291.099475
ΔH_f, kcal/mol:	-199.57
Dipole, Da:	3.99
IP(EA), eV:	-8.54(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4R)-4-azido-1,1,1-trifluoro-4-(2-fluorophenyl)-2-methylpentan-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CN(CC2=C(C=C(C=C2)OC)C)C3=N[C@]([C@H]([C@H](O3)[C@H](C)O)F)(C)C4=CC=CC=C4F)OC

DOS

IR

Vibrations