Geometry & MOs

Info

ID:	224024
PubChem CID:	85337092
Reduced:	SN4O6H20C22 (1)
Stoich.:	AB4C6D20E22 (1)
Weight, g/mol:	468.217284
ΔH_f, kcal/mol:	-154.4
Dipole, Da:	4.63
IP(EA), eV:	-8.65(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(3-acetylphenyl)carbamoylamino]-2-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

C1C2C(=O)NC(C(=O)N2C(C3=C1C4=CC=CC=C4N3)C5=CC6=C(C=C5)OCO6)CS(=O)(=O)N

DOS

IR

Vibrations