Geometry & MOs

Info

ID:	177912
PubChem CID:	76250477
Reduced:	O3N6C20H26 (1)
Stoich.:	A3B6C20D26 (1)
Weight, g/mol:	456.165369
ΔH_f, kcal/mol:	-70.46
Dipole, Da:	6.54
IP(EA), eV:	-8.26(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5,6-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CN1C=NC2C1C(=O)N(C(=O)N2C)CC(=O)NCC3CCN(C3)C4=CC=CC=C4

DOS

IR

Vibrations