Geometry & MOs

Info

ID:	379173
PubChem CID:	134356452
Reduced:	ON7C25H25 (1)
Stoich.:	AB7C25D25 (1)
Weight, g/mol:	486.234157
ΔH_f, kcal/mol:	83.81
Dipole, Da:	1.88
IP(EA), eV:	-8.26(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-(cyclopentanecarbonylamino)-6-oxo-7-(2,3,6-trifluorophenoxy)heptyl]carbamate

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)NC3=NN4C=CN=C(C4=N3)N5CCC[C@H]5C6=CC=CC=C6)NC1=O)C

DOS

IR

Vibrations