Geometry & MOs

Info

ID:	434781
PubChem CID:	135175702
Reduced:	NOC12H25 (1)
Stoich.:	ABC12D25 (1)
Weight, g/mol:	591.177012
ΔH_f, kcal/mol:	-82.18
Dipole, Da:	1.25
IP(EA), eV:	-8.65(2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-(4-aminopiperidin-1-yl)-1-(4-chlorophenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CCCC(C)OCCN1CCCCC1

DOS

IR

Vibrations