Geometry & MOs

Info

ID:	223706
PubChem CID:	85335450
Reduced:	SN2P3C9O14H17 (1)
Stoich.:	AB2C3D9E14F17 (1)
Weight, g/mol:	500.17475
ΔH_f, kcal/mol:	-808.45
Dipole, Da:	3.11
IP(EA), eV:	-10.31(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-2-(hydroxycarbamoyl)cyclobutane-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(C(=O)NC1=O)C2C(C(C(O2)COP(=S)(O)OP(=O)(O)OP(=O)(O)O)O)O

DOS

IR

Vibrations