Geometry & MOs

Info

ID:	154989
PubChem CID:	56314549
Reduced:	SN3O4C20H25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	473.09502
ΔH_f, kcal/mol:	-102.73
Dipole, Da:	7.51
IP(EA), eV:	-9.09(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromobenzoyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COCCS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC=N3

DOS

IR

Vibrations