Geometry & MOs

Info

ID:	43704
PubChem CID:	10321671
Reduced:	S2N5O6C17H19 (1)
Stoich.:	A2B5C6D17E19 (1)
Weight, g/mol:	453.206385
ΔH_f, kcal/mol:	-124.75
Dipole, Da:	7.69
IP(EA), eV:	-8.95(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-acetyl-2-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]acetamide

Drug info:

PubChemData

Smile

CO/N=C(/C1=CN=C(S1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)[C@@H]4CCCO4)C(=O)O

DOS

IR

Vibrations