Geometry & MOs

Info

ID:	446137
PubChem CID:	135272633
Reduced:	PCl2O3N6C23H29 (1)
Stoich.:	AB2C3D6E23F29 (1)
Weight, g/mol:	453.168856
ΔH_f, kcal/mol:	-68.82
Dipole, Da:	4.3
IP(EA), eV:	-8.22(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dioxopyrrolidin-1-yl) N-[1-[2-(dimethylamino)naphthalen-1-yl]naphthalen-2-yl]carbamate

Drug info:

PubChemData

Smile

CNC1=NC=C2C=C(C(=O)N(C2=N1)CCCN3CCN(CC3)P)C4=C(C(=CC(=C4Cl)OC)OC)Cl

DOS

IR

Vibrations