Geometry & MOs

Info

ID:	138153
PubChem CID:	52319051
Reduced:	ClSO2N4H25C26 (1)
Stoich.:	ABC2D4E25F26 (1)
Weight, g/mol:	464.134068
ΔH_f, kcal/mol:	-10.03
Dipole, Da:	9.39
IP(EA), eV:	-8.89(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(4-oxo-7-phenyl-1H-thieno[3,2-d]pyrimidin-2-yl)-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C2=NC(=O)C3=C(N2)C(=CS3)C4=CC=CC=C4)C(=O)NCCC5=CC=C(C=C5)Cl

DOS

IR

Vibrations