Geometry & MOs

Info

ID:	434721
PubChem CID:	135175583
Reduced:	ON3C14H22 (1)
Stoich.:	AB3C14D22 (1)
Weight, g/mol:	679.208312
ΔH_f, kcal/mol:	19.97
Dipole, Da:	3.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.821567
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-3-(2-amino-7-azabicyclo[2.2.1]heptan-7-yl)-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=[N+](O1)C2=CC=NN2C(C)(C)C

DOS

IR

Vibrations