Geometry & MOs

Info

ID:	72751
PubChem CID:	48416506
Reduced:	O2N6C17H20 (1)
Stoich.:	A2B6C17D20 (1)
Weight, g/mol:	400.156912
ΔH_f, kcal/mol:	-1.35
Dipole, Da:	6.89
IP(EA), eV:	-9.48(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CN=C(C=C2)N3C=CC=N3)N4CCNC4=O

DOS

IR

Vibrations