Geometry & MOs

Info

ID:	72689
PubChem CID:	48416441
Reduced:	ClO3N4C20H27 (1)
Stoich.:	AB3C4D20E27 (1)
Weight, g/mol:	347.166748
ΔH_f, kcal/mol:	-136.04
Dipole, Da:	4.56
IP(EA), eV:	-9.19(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC(C1)N2CCNC2=O)NC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations