Geometry & MOs

Info

ID:	299201
PubChem CID:	117678802
Reduced:	F3N3O5C26H30 (1)
Stoich.:	A3B3C5D26E30 (1)
Weight, g/mol:	441.072763
ΔH_f, kcal/mol:	-346.48
Dipole, Da:	1.49
IP(EA), eV:	-9.51(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[(5-chloropyridin-2-yl)-(4-nitrophenoxy)carbonylamino]methyl]benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N(CC2=CC=C(C=C2)C(=O)OC)C3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations