Geometry & MOs

Info

ID:	72646
PubChem CID:	48416395
Reduced:	O3N5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	361.126026
ΔH_f, kcal/mol:	-109.14
Dipole, Da:	9.14
IP(EA), eV:	-9.47(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)NC(=C1CCC(=O)N2CCCC(C2)N3CCNC3=O)C)C#N

DOS

IR

Vibrations