Geometry & MOs

Info

ID:	222845
PubChem CID:	85332715
Reduced:	SN4O8C26H28 (1)
Stoich.:	AB4C8D26E28 (1)
Weight, g/mol:	556.248584
ΔH_f, kcal/mol:	-223.45
Dipole, Da:	7.55
IP(EA), eV:	-8.55(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(5-cyano-2-methoxyphenyl)prop-2-enoylamino]-4-[4-(4-fluorophenoxy)piperidin-1-yl]-N-phenylbutanamide

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)NC2=C(C(=O)C2=O)NC3=CC=CC(=C3O)C(=O)N4CCN(CC4C(=O)O)S(=O)(=O)C

DOS

IR

Vibrations