Geometry & MOs

Info

ID:	44392
PubChem CID:	10503329
Reduced:	ClSN5H16C24 (1)
Stoich.:	ABC5D16E24 (1)
Weight, g/mol:	442.243185
ΔH_f, kcal/mol:	203.67
Dipole, Da:	4.54
IP(EA), eV:	-8.03(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(/C(=C\3/NN=C4N3N=C(S4)C5=CC=C(C=C5)Cl)/N=C2C=C1)C6=CC=CC=C6

DOS

IR

Vibrations