Geometry & MOs

Info

ID:	307395
PubChem CID:	125299795
Reduced:	ClSO2N4H23C25 (1)
Stoich.:	ABC2D4E23F25 (1)
Weight, g/mol:	497.188546
ΔH_f, kcal/mol:	16.91
Dipole, Da:	7.67
IP(EA), eV:	-8.59(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-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](C2=C(C1)SC(=N2)NC(=O)C3=CC=C(C=C3)Cl)C(=O)NCCC4=C5C=CC=CC5=NC4

DOS

IR

Vibrations