Geometry & MOs

Info

ID:	72850
PubChem CID:	48416613
Reduced:	O4N5C21H29 (1)
Stoich.:	A4B5C21D29 (1)
Weight, g/mol:	396.125612
ΔH_f, kcal/mol:	-84.75
Dipole, Da:	12.24
IP(EA), eV:	-9.23(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCCC(C3)N4CCNC4=O

DOS

IR

Vibrations