Geometry & MOs

Info

ID:	60884
PubChem CID:	26702828
Reduced:	ClNO4H20C26 (1)
Stoich.:	ABC4D20E26 (1)
Weight, g/mol:	456.125612
ΔH_f, kcal/mol:	-85.52
Dipole, Da:	2.85
IP(EA), eV:	-8.8(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC(=O)N1C=CC2=CC=CC=C2[C@H]1CC(=O)OC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations