Geometry & MOs

Info

ID:	47076
PubChem CID:	10529438
Reduced:	N3O3C31H39 (1)
Stoich.:	A3B3C31D39 (1)
Weight, g/mol:	500.056022
ΔH_f, kcal/mol:	-136.59
Dipole, Da:	1.55
IP(EA), eV:	-8.79(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl 3-[2-oxo-2-(2,2,2-trichloroethoxy)ethyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C[C@@H](C(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)NC45CC6CC(C4)CC(C6)C5)N)C)O

DOS

IR

Vibrations