Geometry & MOs

Info

ID:	190718
PubChem CID:	78046863
Reduced:	N4O11C23H28 (1)
Stoich.:	A4B11C23D28 (1)
Weight, g/mol:	475.175673
ΔH_f, kcal/mol:	-453.96
Dipole, Da:	4.93
IP(EA), eV:	-9.6(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-[1-[1-oxo-8-(6-oxo-3H-pyridin-3-yl)-2-phenylisoquinolin-3-yl]ethylamino]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NCCCCC(C(=O)O)N2C(=O)C(C(=O)N(C2=O)C(CCC(=O)O)C(=O)O)N

DOS

IR

Vibrations