Geometry & MOs

Info

ID:	434965
PubChem CID:	135176076
Reduced:	ClFOC21H24 (1)
Stoich.:	ABCD21E24 (1)
Weight, g/mol:	507.290863
ΔH_f, kcal/mol:	-71.59
Dipole, Da:	3.0
IP(EA), eV:	-9.0(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[8-[2-amino-3-(4-cyclohexyloxyphenyl)-3,3-difluoropropanoyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC(=C1)CC(C)C2=CC(=C(C=C2Cl)F)O)C3CC3

DOS

IR

Vibrations