Geometry & MOs

Info

ID:	307396
PubChem CID:	125299796
Reduced:	SO2N5H27C28 (1)
Stoich.:	AB2C5D27E28 (1)
Weight, g/mol:	497.188546
ΔH_f, kcal/mol:	58.78
Dipole, Da:	7.08
IP(EA), eV:	-8.54(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[(4aR)-4-oxo-7-phenyl-4aH-thieno[3,2-d]pyrimidin-2-yl]-N-[2-(2H-indol-3-yl)ethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C2=NC(=O)[C@H]3C(=N2)C(=CS3)C4=CC=CC=C4)C(=O)NCCC5=C6C=CC=CC6=NC5

DOS

IR

Vibrations