Geometry & MOs

Info

ID:	185142
PubChem CID:	77261565
Reduced:	ClN3F4O6C20H22 (1)
Stoich.:	AB3C4D6E20F22 (1)
Weight, g/mol:	533.294137
ΔH_f, kcal/mol:	-450.44
Dipole, Da:	8.45
IP(EA), eV:	-9.59(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[4-[3-[1-(4-fluoronaphthalen-1-yl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentyl]phenyl]acetate

Drug info:

PubChemData

Smile

CC(CNC(=O)C(C)OC1=C(C=C(C(=C1)N2C(=O)CC(N(C2=O)C)C(F)(F)F)F)Cl)C(=O)OC

DOS

IR

Vibrations