Geometry & MOs

Info

ID:	61140
PubChem CID:	26706089
Reduced:	ClO4H15C20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	449.140927
ΔH_f, kcal/mol:	-95.18
Dipole, Da:	2.92
IP(EA), eV:	-8.71(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=CC(=C2)OC(=O)[C@@H]3CC4=C(O3)C=CC(=C4)Cl

DOS

IR

Vibrations