Geometry & MOs

Info

ID:	434630
PubChem CID:	135175371
Reduced:	ON3C9H15 (1)
Stoich.:	AB3C9D15 (1)
Weight, g/mol:	649.255262
ΔH_f, kcal/mol:	21.92
Dipole, Da:	3.11
IP(EA), eV:	-8.46(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-aminopiperidin-1-yl)-1-[5-(1-chloroethyl)-7-methylidenecyclohept-2-en-1-yl]-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2=NOC=C2

DOS

IR

Vibrations