Geometry & MOs

Info

ID:	325259
PubChem CID:	126682327
Reduced:	NF2O2C7H7 (2)
Stoich.:	AB2C2D7E7 (2)
Weight, g/mol:	359.170828
ΔH_f, kcal/mol:	-259.91
Dipole, Da:	4.63
IP(EA), eV:	-10.19(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S)-1-[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]-1-(2-fluorophenyl)ethyl]carbamate

Drug info:

PubChemData

Smile

CC1=N[C@]([C@H]([C@H](O1)C(F)(F)F)OC)(C)C2=C(C=CC(=C2)[N+](=O)[O-])F

DOS

IR

Vibrations