Geometry & MOs

Info

ID:	233940
PubChem CID:	92252616
Reduced:	SO2N3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	409.182398
ΔH_f, kcal/mol:	-27.47
Dipole, Da:	1.87
IP(EA), eV:	-8.62(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)-N-[(2R)-2-phenylpropyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C1C(=O)N3CCC[C@H](C3)C(=O)NC4CC4)SC=C2

DOS

IR

Vibrations