Geometry & MOs

Info

ID:	123022
PubChem CID:	50830855
Reduced:	ClSO2N3C25H28 (1)
Stoich.:	ABC2D3E25F28 (1)
Weight, g/mol:	472.169975
ΔH_f, kcal/mol:	-44.69
Dipole, Da:	7.56
IP(EA), eV:	-8.51(-0.21)
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-[2-(dimethylamino)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2CCN(CC2)C(=O)C3=CC4=C(N3CC5=CC=C(C=C5)Cl)SC=C4

DOS

IR

Vibrations