Geometry & MOs

Info

ID:	161661
PubChem CID:	57392276
Reduced:	ClS2N4O4H19C21 (1)
Stoich.:	AB2C4D4E19F21 (1)
Weight, g/mol:	602.358054
ΔH_f, kcal/mol:	-78.35
Dipole, Da:	5.85
IP(EA), eV:	-9.38(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1,3-dioxo-2-(3-piperidin-1-ylpropyl)-8-(3-pyrrolidin-1-ylpropanoylamino)benzo[de]isoquinolin-5-yl]-3-pyrrolidin-1-ylpropanamide

Drug info:

PubChemData

Smile

CN1CCC2=C(C1)SC(=N2)C(=O)NC3=C(C=C(C=C3)C(=O)O)CNC(=O)C4=CC=C(S4)Cl

DOS

IR

Vibrations