Geometry & MOs

Info

ID:	434939
PubChem CID:	135176037
Reduced:	F2O3C17H22 (1)
Stoich.:	A2B3C17D22 (1)
Weight, g/mol:	501.243913
ΔH_f, kcal/mol:	-235.6
Dipole, Da:	5.2
IP(EA), eV:	-9.13(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[8-[2-amino-3,3-difluoro-3-(4-phenoxyphenyl)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC=C(C=C1)OC2CCC(CC2)C)(F)F

DOS

IR

Vibrations