Geometry & MOs

Info

ID:	434725
PubChem CID:	135175587
Reduced:	NOC9H11 (1)
Stoich.:	ABC9D11 (1)
Weight, g/mol:	679.208312
ΔH_f, kcal/mol:	-2.33
Dipole, Da:	5.43
IP(EA), eV:	-9.12(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-3-[(2R)-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

CC1=C(C(=O)NC1)/C=C\C=C

DOS

IR

Vibrations