Geometry & MOs

Info

ID:	163617
PubChem CID:	58098110
Reduced:	SO2N4C25H30 (1)
Stoich.:	AB2C4D25E30 (1)
Weight, g/mol:	493.27407
ΔH_f, kcal/mol:	6.61
Dipole, Da:	5.31
IP(EA), eV:	-8.39(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1R,2R)-2-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]cyclohexyl]methyl]-2-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)NC[C@H]2C[C@@H]2CN3CCN(CC3)C4=NSC5=CC=CC=C54

DOS

IR

Vibrations