Geometry & MOs

Info

ID:	434744
PubChem CID:	135175615
Reduced:	O2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	675.1578
ΔH_f, kcal/mol:	-31.38
Dipole, Da:	2.67
IP(EA), eV:	-8.08(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(3-bromophenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1)N)/C(=C/N)/C=NC2CCC2

DOS

IR

Vibrations