Geometry & MOs

Info

ID:	446714
PubChem CID:	135277128
Reduced:	ClOF3N3H19C20 (1)
Stoich.:	ABC3D3E19F20 (1)
Weight, g/mol:	469.163771
ΔH_f, kcal/mol:	-138.64
Dipole, Da:	6.76
IP(EA), eV:	-8.48(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C([C@H](N1CC(F)(F)F)C3=CC(=NC=C3OC)Cl)NC4=CC=CC=C24

DOS

IR

Vibrations