Geometry & MOs

Info

ID:	159065
PubChem CID:	57260105
Reduced:	O3C22H30 (1)
Stoich.:	A3B22C30 (1)
Weight, g/mol:	584.181493
ΔH_f, kcal/mol:	-126.14
Dipole, Da:	4.32
IP(EA), eV:	-9.58(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-2-[5-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenyl]thiophen-2-yl]thian-2-yl]-N-(oxan-2-yloxy)acetamide

Drug info:

PubChemData

Smile

C1CC(=O)C(C1C=CC(=O)CC2=CC=CC=C2)CCCCCCCO

DOS

IR

Vibrations