Geometry & MOs

Info

ID:	123027
PubChem CID:	50830956
Reduced:	ClSO2N3C23H24 (1)
Stoich.:	ABC2D3E23F24 (1)
Weight, g/mol:	473.153991
ΔH_f, kcal/mol:	-12.64
Dipole, Da:	7.27
IP(EA), eV:	-8.51(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[(4-chlorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C=CCNC(=O)C1CCN(CC1)C(=O)C2=CC3=C(N2CC4=CC=C(C=C4)Cl)SC=C3

DOS

IR

Vibrations