Geometry & MOs

Info

ID:	123021
PubChem CID:	50830854
Reduced:	FOSN2C19H19 (1)
Stoich.:	ABCD2E19F19 (1)
Weight, g/mol:	469.159076
ΔH_f, kcal/mol:	-51.85
Dipole, Da:	3.66
IP(EA), eV:	-8.33(-0.66)
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-cyclopentylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(S1)C3=C(N2)CCCCC3)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations